.. role:: pbg .. raw:: html .. role:: gbg .. raw:: html .. role:: bbg .. raw:: html .. role:: lbg .. raw:: html .. |H| replace:: :pbg:`H` .. |He| replace:: :pbg:`He` .. |Li| replace:: :bbg:`Li` .. |Be| replace:: :bbg:`Be` .. |B| replace:: :bbg:`B` .. |C| replace:: :bbg:`C` .. |N| replace:: :bbg:`N` .. |O| replace:: :bbg:`O` .. |F| replace:: :bbg:`F` .. |Ne| replace:: :bbg:`Ne` .. |Na| replace:: :lbg:`Na` .. |Mg| replace:: :lbg:`Mg` .. |Al| replace:: :lbg:`Al` .. |Si| replace:: :lbg:`Si` .. |P| replace:: :lbg:`P` .. |S| replace:: :lbg:`S` .. |Cl| replace:: :lbg:`Cl` .. |Ar| replace:: :lbg:`Ar` .. |K| replace:: :gbg:`K` .. |Ca| replace:: :gbg:`Ca` .. |Sc| replace:: :gbg:`Sc` .. |Ti| replace:: :gbg:`Ti` .. |V| replace:: :gbg:`V` .. |Cr| replace:: :gbg:`Cr` .. |Mn| replace:: :gbg:`Mn` .. |Fe| replace:: :gbg:`Fe` .. |Co| replace:: :gbg:`Co` .. |Ni| replace:: :gbg:`Ni` .. |Cu| replace:: :gbg:`Cu` .. |Zn| replace:: :gbg:`Zn` .. |Ga| replace:: :gbg:`Ga` .. |Ge| replace:: :gbg:`Ge` .. |As| replace:: :gbg:`As` .. |Se| replace:: :gbg:`Se` .. |Br| replace:: :gbg:`Br` .. |Kr| replace:: :gbg:`Kr` .. table:: Basis set availability by element in |PSIfour| +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | Basis Set | PUREAM | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +===================================================================+========+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+======+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Pople** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`sto-3g` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`3-21g` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31gs` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31gss` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31g_d_` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31g` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31g_d_p_` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31ppgss` | 6D/10F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31ppg_d_p_` | 6D/10F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31pg` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31ppg` | 6D/10F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31pgss` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31ppg_d_` | 6D/10F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31pg_d_` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31pg_d_p_` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31pgs` | 6D/10F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-31ppgs` | 6D/10F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2df_2p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_3df_2p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pgs` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2df_p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2d_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2df_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2d_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2df_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_3df_p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2df_2pd_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_3df_2pd_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_d_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_3df_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_3df_2pd_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_3df_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_3df_3pd_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2df_2pd_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_3df_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_d_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_d_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2df_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_3df_2p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2df_2pd_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_d_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311gss` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2df_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_2d_2p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2d_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppgs` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pgss` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2d_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2d_2p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_3df_3pd_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_d_p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2d_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_3df_2pd_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_3df_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2d_p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2df_2p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311pg_3df_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppgss` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311gs` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2d_2p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_2df_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_2df_2p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | |K| | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_3df_3pd_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311ppg_3df_2p_` | 5D/7F | |H| | | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`6-311g_d_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Ahlrichs/Karlsruhe** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-qzvpd` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-tzvpp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-tzvppd` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-svp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-svpd` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-sv_p_` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-tzvp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-qzvppd` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-tzvpd` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-qzvpp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`def2-qzvp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Dunning D-zeta** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvdz-f12` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvdz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvdz-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvdz-f12` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvdz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvdz-canonical` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvdz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_dpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_dpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_dpd_z-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdzp-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcvdz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdzp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvdzp-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_dpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_dpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pwcvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pcvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvdz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcvdz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvdz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_dpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_dpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvdz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcvdz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvdz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvdz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_dpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_dpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv_dpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_dpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Dunning T-zeta** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvtz-f12` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvtz-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvtz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvtz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvtz-f12` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvtz-dk` | 5D/7F | | | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvtz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvtz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_tpd_z-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_tpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_tpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvtz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcvtz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvtz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvtz-dk` | 5D/7F | | | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvtz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_tpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_tpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pwcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvtz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvtz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvtz-dk` | 5D/7F | |H| | |He| | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvtz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcvtz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_tpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_tpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvtz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_tpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_tpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcvtz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pvtz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcvtz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcvtz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_tpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv_tpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv_tpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_tpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Dunning Q-zeta** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvqz-f12` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvqz-dk` | 5D/7F | | | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcvqz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvqz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvqz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvqz-f12` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvqz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pvqz-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_qpd_z-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_qpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_qpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvqz-dk` | 5D/7F | | | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcvqz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvqz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvqz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pvqz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_qpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_qpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcvqz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvqz-dk` | 5D/7F | |H| | |He| | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvqz-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvqz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvqz-dual` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_qpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_qpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pvqz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_qpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_qpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pvqz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_qpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv_qpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pcvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcvqz` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcvqz-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pvqz` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pvqz-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_qpd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pcv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcv_qpd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | |Br| | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcv_qpd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_qpd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Dunning 5-zeta** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv5z-dk` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv5z-dk` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv5z-dk` | 5D/7F | | | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv5z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv5z-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_5pd_z` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | |Ca| | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv5z-dk` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv5z-dk` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv5z-dk` | 5D/7F | | | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv5z-dk` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv5z-dk` | 5D/7F | |H| | |He| | | | | | | | | | | | | | | | | | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv5z-dk` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv5z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pwcv5z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pwcv5z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pwcv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv_5pd_z-jkfit` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv_5pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pwcv_5pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Dunning 6-zeta** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`aug-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pcv6z` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | | | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`d-aug-cc-pv6z` | 5D/7F | |H| | | | | |B| | |C| | |N| | |O| | | | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`heavy-aug-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`jun-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`may-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`apr-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`mar-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`feb-cc-pv6z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`feb-cc-pv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`feb-cc-pcv6z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`feb-cc-pcv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`feb-cc-pv_6pd_z-ri` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`feb-cc-pv_6pd_z` | 5D/7F | |H| | |He| | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | **Others** | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`psi3-tz2p` | 6D/10F | |H| | | | | |B| | |C| | |N| | |O| | |F| | | | | |Al| | |Si| | |P| | |S| | |Cl| | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`psi3-dzp` | 6D/10F | |H| | | | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`psi3-tz2pf` | 6D/10F | |H| | | | | |B| | |C| | |N| | |O| | |F| | | | | |Al| | |Si| | |P| | |S| | |Cl| | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`sadlej-lpol-dl` | 5D/7F | |H| | | | | | |C| | |N| | |O| | |F| | | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`sadlej-lpol-ds` | 5D/7F | |H| | | | | | |C| | |N| | |O| | |F| | | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`sadlej-lpol-fl` | 5D/7F | |H| | | | | | |C| | |N| | |O| | |F| | | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`dzp` | 6D/10F | |H| | | |Li| | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`dz` | 5D/7F | |H| | | |Li| | | |B| | |C| | |N| | |O| | |F| | |Ne| | | | |Al| | |Si| | |P| | |S| | |Cl| | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`sadlej-lpol-fs` | 5D/7F | |H| | | | | | |C| | |N| | |O| | |F| | | | | | | | | | | | | | | | | | | | | | | | | | | | | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+ | :srcbasis:`dzvp` | 5D/7F | |H| | |He| | |Li| | |Be| | |B| | |C| | |N| | |O| | |F| | |Ne| | |Na| | |Mg| | |Al| | |Si| | |P| | |S| | |Cl| | |Ar| | |K| | |Ca| | |Sc| | |Ti| | |V| | |Cr| | |Mn| | |Fe| | |Co| | |Ni| | |Cu| | |Zn| | |Ga| | |Ge| | |As| | |Se| | |Br| | |Kr| | +-------------------------------------------------------------------+--------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+------+