#
#			PROPRIETARY AND CONFIDENTIAL
#              Copyright (c) 1995, Molecular Simulations Inc.
#
#   $Header: /cx3/c2map_c40/data/res/ADF/RCS/BasisDB,v 1.1 1995/08/08 10:36:36 nlaister Exp Locker: nic $
#
#   $Log:	BasisDB,v $
#	Revision 1.1  1995/08/08  10:36:36  nlaister
#	Submission Number: 2350 -- Remote Site Checkin
#	
#
#   Purpose:
#
#   Information about the standard ADF basis sets.
#
#   This file contains a list of the available ADF basis sets.
#   For each basis we list: the relativistic core name,
#                           the atomic number,
#                           the basis choices for which the basis set
#                           provides the default.
#
#   This file is free format.
#   Blank lines and lines beginning with '#' are ignored.
#
#***********************************************************************
I/H H               1 1S 1L
II/H H              1 2S 2L
III/H H             1 3S 3L
IV/H H              1 4S 4L
V/H H               1 5S 5L
#
I/He He              2 1S 1L
II/He He             2 2S 2L
III/He He            2 3S 3L
IV/He He             2 4S 4L
V/He He              2 5S 5L
#
I/Li.1s Li.1s           3 1S 1L
II/Li.1s Li.1s          3 2S 2L
III/Li.1s Li.1s         3 3S 3L
IV/Li.1s Li.1s          3 4S 4L
V/Li.1s Li.1s           3 5S 5L
#
I/Be.1s Be.1s           4 1S 1L
II/Be.1s Be.1s          4 2S 2L
III/Be.1s Be.1s         4 3S 3L
IV/Be.1s Be.1s          4 4S 4L
V/Be.1s Be.1s           4 5S 5L
#
I/B.1s B.1s            5 1S 1L
II/B.1s B.1s           5 2S 2L
III/B.1s B.1s          5 3S 3L
IV/B.1s B.1s           5 4S 4L
V/B.1s B.1s            5 5S 5L
#
I/C.1s C.1s            6 1S 1L
II/C.1s C.1s           6 2S 2L
III/C.1s C.1s          6 3S 3L
IV/C.1s C.1s           6 4S 4L
V/C.1s C.1s            6 5S 5L
#
I/N.1s N.1s            7 1S 1L
II/N.1s N.1s           7 2S 2L
III/N.1s N.1s          7 3S 3L
IV/N.1s N.1s           7 4S 4L
V/N.1s N.1s            7 5S 5L
#
I/O.1s O.1s            8 1S 1L
II/O.1s O.1s           8 2S 2L
III/O.1s O.1s          8 3S 3L
IV/O.1s O.1s           8 4S 4L
V/O.1s O.1s            8 5S 5L
#
I/F.1s F.1s            9 1S 1L
II/F.1s F.1s           9 2S 2L
III/F.1s F.1s          9 3S 3L
IV/F.1s F.1s           9 4S 4L
V/F.1s F.1s            9 5S 5L
#
I/Ne.1s Ne.1s          10 1S 1L
II/Ne.1s Ne.1s         10 2S 2L
III/Ne.1s Ne.1s        10 3S 3L
IV/Ne.1s Ne.1s         10 4S 4L
V/Ne.1s Ne.1s          10 5S 5L
#
I/Na.2p Na.2p          11 1S 1L
II/Na.1s Na.1s         11 2S
II/Na.2p Na.2p         11 2L
III/Na.1s Na.1s        11 3S
III/Na.2p Na.2p        11 3L
IV/Na.1s Na.1s         11 4S
IV/Na.2p Na.2p         11 4L
V/Na.1s Na.1s          11 5S
V/Na.2p Na.2p          11 5L
#
I/Mg.2p Mg.2p          12 1S 1L
II/Mg.1s Mg.1s         12 2S
II/Mg.2p Mg.2p         12 2L
III/Mg.1s Mg.1s        12 3S
III/Mg.2p Mg.2p        12 3L
IV/Mg.1s Mg.1s         12 4S
IV/Mg.2p Mg.2p         12 4L
V/Mg.1s Mg.1s          12 5S
V/Mg.2p Mg.2p          12 5L
#
I/Al.2p Al.2p          13 1S 1L
II/Al.2p Al.2p         13 2S 2L
III/Al.2p Al.2p        13 3S 3L
IV/Al.2p Al.2p         13 4S 4L
V/Al.2p Al.2p          13 5S 5L
#
I/Si.2p Si.2p          14 1S 1L
II/Si.2p Si.2p         14 2S 2L
III/Si.2p Si.2p        14 3S 3L
IV/Si.2p Si.2p         14 4S 4L
V/Si.2p Si.2p          14 5S 5L
#
I/P.2p P.2p           15 1S 1L
II/P.2p P.2p          15 2S 2L
III/P.2p P.2p         15 3S 3L
IV/P.2p P.2p          15 4S 4L
V/P.2p P.2p           15 5S 5L
#
I/S.2p S.2p           16 1S 1L
II/S.2p S.2p          16 2S 2L
III/S.2p S.2p         16 3S 3L
IV/S.2p S.2p          16 4S 4L
V/S.2p S.2p           16 5S 5L
#
I/Cl.2p Cl.2p          17 1S 1L
II/Cl.2p Cl.2p         17 2S 2L
III/Cl.2p Cl.2p        17 3S 3L
IV/Cl.2p Cl.2p         17 4S 4L
V/Cl.2p Cl.2p          17 5S 5L
#
I/Ar.2p Ar.2p          18 1S 1L
II/Ar.2p Ar.2p         18 2S 2L
III/Ar.2p Ar.2p        18 3S 3L
IV/Ar.2p Ar.2p         18 4S 4L
V/Ar.2p Ar.2p          18 5S 5L
#
I/K.3p K.3p           19 1S 1L
II/K.2p K.2p          19 2S 3S
II/K.3p K.3p          19 2L 3L
IV/K.2p K.2p          19 4S 5S
IV/K.3p K.3p          19 4L 5L
#
I/Ca.3p Ca.3p          20 1S 1L
II/Ca.2p Ca.2p         20 2S 3S
II/Ca.3p Ca.3p         20 2L 3L
IV/Ca.2p Ca.2p         20 4S 5S
IV/Ca.3p Ca.3p         20 4L 5L
#
I/Sc.3p Sc.3p          21 1S 1L
II/Sc.2p Sc.2p         21 2S 3S
II/Sc.3p Sc.3p         21 2L 3L
IV/Sc.2p Sc.2p         21 4S 5S
IV/Sc.3p Sc.3p         21 4L 5L
#
I/Ti.3p Ti.3p          22 1S 1L
II/Ti.2p Ti.2p         22 2S 3S
II/Ti.3p Ti.3p         22 2L 3L
IV/Ti.2p Ti.2p         22 4S 5S
IV/Ti.3p Ti.3p         22 4L 5L
#
I/V.3p V.3p           23 1S 1L
II/V.2p V.2p          23 2S 3S
II/V.3p V.3p          23 2L 3L
IV/V.2p V.2p          23 4S 5S
IV/V.3p V.3p          23 4L 5L
#
I/Cr.3p Cr.3p          24 1S 1L
II/Cr.2p Cr.2p         24 2S 3S   
II/Cr.3p Cr.3p         24 2L 3L
IV/Cr.2p Cr.2p         24 4S 5S
IV/Cr.3p Cr.3p         24 4L 5L
#
I/Mn.3p Mn.3p          25 1S 1L
II/Mn.2p Mn.2p         25 2S 3S
II/Mn.3p Mn.3p         25 2L 3L
IV/Mn.2p Mn.2p         25 4S 5S   
IV/Mn.3p Mn.3p         25 4L 5L
#
I/Fe.3p Fe.3p          26 1S 1L
II/Fe.2p Fe.2p         26 2S 3S
II/Fe.3p Fe.3p         26 2L 3L
IV/Fe.2p Fe.2p         26 4S 5S
IV/Fe.3p Fe.3p         26 4L 5L
#
I/Co.3p Co.3p          27 1S 1L
II/Co.2p Co.2p         27 2S 3S
II/Co.3p Co.3p         27 2L 3L
IV/Co.2p Co.2p         27 4S 5S
IV/Co.3p Co.3p         27 4L 5L
#
I/Ni.3p Ni.3p          28 1S 1L
II/Ni.2p Ni.2p         28 2S 3S
II/Ni.3p Ni.3p         28 2L 3L
IV/Ni.2p Ni.2p         28 4S 5S
IV/Ni.3p Ni.3p         28 4L 5L
#
I/Cu.3p Cu.3p          29 1S 1L
II/Cu.2p Cu.2p         29 2S 3S
II/Cu.3p Cu.3p         29 2L 3L
IV/Cu.2p Cu.2p         29 4S 5S
IV/Cu.3p Cu.3p         29 4L 5L
#
I/Zn.3p Zn.3p          30 1S 1L
II/Zn.2p Zn.2p         30 2S 3S
II/Zn.3p Zn.3p         30 2L 3L
IV/Zn.2p Zn.2p         30 4S 5S
IV/Zn.3p Zn.3p         30 4L 5L
#
I/Ga.3d Ga.3d          31 1S 1L
II/Ga.3p Ga.3p         31 2S   
II/Ga.3d Ga.3d         31 2L   
III/Ga.3p Ga.3p        31 3S   
III/Ga.3d Ga.3d        31 3L   
IV/Ga.3p Ga.3p         31 4S   
IV/Ga.3d Ga.3d         31 4L   
V/Ga.3p Ga.3p          31 5S   
V/Ga.3d Ga.3d          31 5L   
#
I/Ge.3d Ge.3d          32 1S 1L
II/Ge.3p Ge.3p         32 2S   
II/Ge.3d Ge.3d         32 2L   
III/Ge.3p Ge.3p        32 3S   
III/Ge.3d Ge.3d        32 3L   
IV/Ge.3p Ge.3p         32 4S   
IV/Ge.3d Ge.3d         32 4L   
V/Ge.3p Ge.3p          32 5S   
V/Ge.3d Ge.3d          32 5L   
#
I/As.3d As.3d          33 1S 1L
II/As.3p As.3p         33 2S   
II/As.3d As.3d         33 2L   
III/As.3p As.3p        33 3S   
III/As.3d As.3d        33 3L   
IV/As.3p As.3p         33 4S   
IV/As.3d As.3d         33 4L   
V/As.3p As.3p          33 5S   
V/As.3d As.3d          33 5L   
#
I/Se.3d Se.3d          34 1S 1L
II/Se.3p Se.3p         34 2S   
II/Se.3d Se.3d         34 2L   
III/Se.3p Se.3p        34 3S   
III/Se.3d Se.3d        34 3L   
IV/Se.3p Se.3p         34 4S   
IV/Se.3d Se.3d         34 4L   
V/Se.3p Se.3p          34 5S   
V/Se.3d Se.3d          34 5L   
#
I/Br.3d Br.3d          35 1S 1L
II/Br.3p Br.3p         35 2S   
II/Br.3d Br.3d         35 2L   
III/Br.3p Br.3p        35 3S   
III/Br.3d Br.3d        35 3L   
IV/Br.3p Br.3p         35 4S   
IV/Br.3d Br.3d         35 4L   
V/Br.3p Br.3p          35 5S   
V/Br.3d Br.3d          35 5L   
#
I/Kr.3d Kr.3d          36 1S 1L
II/Kr.3d Kr.3d         36 2S 2L
III/Kr.3d Kr.3d        36 3S 3L
IV/Kr.3d Kr.3d         36 4S 4L
V/Kr.3d Kr.3d          36 5S 5L
#
II/Rb.3d Rb.3d         37 2S 1S 3S
II/Rb.4p Rb.4p         37 2L 1L 3L
IV/Rb.3d Rb.3d         37 4S 5S
IV/Rb.4p Rb.4p         37 4L 5L
#
II/Sr.3d Sr.3d         38 2S 1S 3S
II/Sr.4p Sr.4p         38 2L 1L 3L
IV/Sr.3d Sr.3d         38 4S 5S
IV/Sr.4p Sr.4p         38 4L 5L
#
II/Y.3d Y.3d          39 2S 1S 3S
II/Y.4p Y.4p          39 2L 1L 3L
IV/Y.3d Y.3d          39 4S 5S
IV/Y.4p Y.4p          39 4L 5L
#
II/Zr.3d Zr.3d         40 2S 1S 3S
II/Zr.4p Zr.4p         40 2L 1L 3L
IV/Zr.3d Zr.3d         40 4S 5S
IV/Zr.4p Zr.4p         40 4L 5L
#
II/Nb.3d Nb.3d         41 2S 1S 3S
II/Nb.4p Nb.4p         41 2L 1L 3L
IV/Nb.3d Nb.3d         41 4S 5S
IV/Nb.4p Nb.4p         41 4L 5L
#
II/Mo.3d Mo.3d         42 2S 1S 3S
II/Mo.4p Mo.4p         42 2L 1L 3L
IV/Mo.3d Mo.3d         42 4S 5S
IV/Mo.4p Mo.4p         42 4L 5L
#
II/Tc.3d Tc.3d         43 2S 1S 3S
II/Tc.4p Tc.4p         43 2L 1L 3L
IV/Tc.3d Tc.3d         43 4S 5S
IV/Tc.4p Tc.4p         43 4L 5L
#
II/Ru.3d Ru.3d         44 2S 1S 3S
II/Ru.4p Ru.4p         44 2L 1L 3L
IV/Ru.3d Ru.3d         44 4S 5S
IV/Ru.4p Ru.4p         44 4L 5L
#
II/Rh.3d Rh.3d         45 2S 1S 3S
II/Rh.4p Rh.4p         45 2L 1L 3L
IV/Rh.3d Rh.3d         45 4S 5S
IV/Rh.4p Rh.4p         45 4L 5L
#
II/Pd.3d Pd.3d         46 2S 1S 3S
II/Pd.4p Pd.4p         46 2L 1L 3L
IV/Pd.3d Pd.3d         46 4S 5S
IV/Pd.4p Pd.4p         46 4L 5L
#
II/Ag.3d Ag.3d         47 2S 1S 3S
II/Ag.4p Ag.4p         47 2L 1L 3L
IV/Ag.3d Ag.3d         47 4S 5S
IV/Ag.4p Ag.4p         47 4L 5L
#
II/Cd.3d Cd.3d         48 2S 1S 3S
II/Cd.4p Cd.4p         48 2L 1L 3L
IV/Cd.3d Cd.3d         48 4S 5S
IV/Cd.4p Cd.4p         48 4L 5L
#
II/In.4p In.4p         49 2S 1S 3S
II/In.4d In.4d         49 2L 1L 3L
IV/In.4p In.4p         49 4S 5S
IV/In.4d In.4d         49 4L 5L
#
II/Sn.4p Sn.4p         50 2S 1S 3S
II/Sn.4d Sn.4d         50 2L 1L 3L
IV/Sn.4p Sn.4p         50 4S 5S
IV/Sn.4d Sn.4d         50 4L 5L
#
II/Sb.4p Sb.4p         51 2S 1S 3S
II/Sb.4d Sb.4d         51 2L 1L 3L
IV/Sb.4p Sb.4p         51 4S 5S
IV/Sb.4d Sb.4d         51 4L 5L
#
II/Te.4p Te.4p         52 2S 1S 3S
II/Te.4d Te.4d         52 2L 1L 3L
IV/Te.4p Te.4p         52 4S 5S
IV/Te.4d Te.4d         52 4L 5L
#
II/I.4p I.4p          53 2S 1S 3S
II/I.4d I.4d          53 2L 1L 3L
IV/I.4p I.4p          53 4S 5S
IV/I.4d I.4d          53 4L 5L
#
II/Xe.4d Xe.4d         54 2S 2L 1S 1L 3S 3L
IV/Xe.4d Xe.4d         54 4S 4L 5S 5L
#
II/Cs.4d Cs.4d         55 2S 2L 1S 1L 3S 3L
IV/Cs.4d Cs.4d         55 4S 4L 5S 5L
#
II/Ba.4d Ba.4d         56 2S 2L 1S 1L 3S 3L
IV/Ba.4d Ba.4d         56 4S 4L 5S 5L
#
II/La.5p La.5p         57 2S 2L 1S 1L 3S 3L
IV/La.5p La.5p         57 4S 4L 5S 5L
#
II/Ce.4d Ce.4d         58 2S 1S 3S
II/Ce.5p Ce.5p         58 2L 1L 3L
IV/Ce.4d Ce.4d         58 4S 5S
IV/Ce.5p Ce.5p         58 4L 5L
#
II/Pr.5p Pr.5p         59 2S 2L 1S 1L 3S 3L
IV/Pr.5p Pr.5p         59 4S 4L 5S 5L
#
II/Nd.5p Nd.5p         60 2S 2L 1S 1L 3S 3L
IV/Nd.5p Nd.5p         60 4S 4L 5S 5L
#
II/Pm.5p Pm.5p         61 2S 2L 1S 1L 3S 3L
IV/Pm.5p Pm.5p         61 4S 4L 5S 5L
#
II/Sm.5p Sm.5p         62 2S 2L 1S 1L 3S 3L
IV/Sm.5p Sm.5p         62 4S 4L 5S 5L
#
II/Eu.5p Eu.5p         63 2S 2L 1S 1L 3S 3L
IV/Eu.5p Eu.5p         63 4S 4L 5S 5L
#
II/Gd.5p Gd.5p         64 2S 2L 1S 1L 3S 3L
IV/Gd.5p Gd.5p         64 4S 4L 5S 5L
#
II/Tb.5p Tb.5p         65 2S 2L 1S 1L 3S 3L
IV/Tb.5p Tb.5p         65 4S 4L 5S 5L
#
II/Dy.5p Dy.5p         66 2S 2L 1S 1L 3S 3L
IV/Dy.5p Dy.5p         66 4S 4L 5S 5L
#
II/Ho.5p Ho.5p         67 2S 2L 1S 1L 3S 3L
IV/Ho.5p Ho.5p         67 4S 4L 5S 5L
#
II/Er.5p Er.5p         68 2S 2L 1S 1L 3S 3L
IV/Er.5p Er.5p         68 4S 4L 5S 5L
#
II/Tm.5p Tm.5p         69 2S 2L 1S 1L 3S 3L
IV/Tm.5p Tm.5p         69 4S 4L 5S 5L
#
II/Yb.5p Yb.5p         70 2S 2L 1S 1L 3S 3L
IV/Yb.5p Yb.5p         70 4S 4L 5S 5L
#
II/Lu.5p Lu.5p         71 2S 2L 1S 1L 3S 3L
IV/Lu.5p Lu.5p         71 4S 4L 5S 5L
#
II/Hf.5p Hf.5p         72 2S 2L 1S 1L 3S 3L
IV/Hf.5p Hf.5p         72 4S 4L 5S 5L
#
II/Ta.5p Ta.5p         73 2S 2L 1S 1L 3S 3L
IV/Ta.5p Ta.5p         73 4S 4L 5S 5L
#
II/W.5p W.5p          74 2S 2L 1S 1L 3S 3L
IV/W.5p W.5p          74 4S 4L 5S 5L
#
II/Re.5p Re.5p         75 2S 2L 1S 1L 3S 3L
IV/Re.5p Re.5p         75 4S 4L 5S 5L
#
II/Os.5p Os.5p         76 2S 2L 1S 1L 3S 3L
IV/Os.5p Os.5p         76 4S 4L 5S 5L
#
II/Ir.5p Ir.5p         77 2S 2L 1S 1L 3S 3L
IV/Ir.5p Ir.5p         77 4S 4L 5S 5L
#
II/Pt.5p Pt.5p         78 2S 2L 1S 1L 3S 3L
IV/Pt.5p Pt.5p         78 4S 4L 5S 5L
#
II/Au.5p Au.5p         79 2S 2L 1S 1L 3S 3L
IV/Au.5p Au.5p         79 4S 4L 5S 5L
#
II/Hg.5p Hg.5p         80 2S 2L 1S 1L 3S 3L
IV/Hg.5p Hg.5p         80 4S 4L 5S 5L
#
II/Tl.5p Tl.5p         81 2S 2L 1S 1L 3S 3L
IV/Tl.5p Tl.5p         81 4S 4L 5S 5L
#
II/Pb.5p Pb.5p         82 2S 1S 3S
II/Pb.5d Pb.5d         82 2L 1L 3L
IV/Pb.5p Pb.5p         82 4S 5S
IV/Pb.5d Pb.5d         82 4L 5L
#
II/Bi.5p Bi.5p         83 2S 1S 3S
II/Bi.5d Bi.5d         83 2L 1L 3L
IV/Bi.5p Bi.5p         83 4S 5S
IV/Bi.5d Bi.5d         83 4L 5L
#
II/Po.5d Po.5d         84 2S 2L 1S 1L 3S 3L
IV/Po.5d Po.5d         84 4S 4L 5S 5L
#
II/At.5d At.5d         85 2S 2L 1S 1L 3S 3L
IV/At.5d At.5d         85 4S 4L 5S 5L
#
II/Rn.5d Rn.5d         86 2S 2L 1S 1L 3S 3L
IV/Rn.5d Rn.5d         86 4S 4L 5S 5L
#
II/Fr.5d Fr.5d         87 2S 2L 1S 1L 3S 3L
IV/Fr.5d Fr.5d         87 4S 4L 5S 5L
#
II/Ra.5d Ra.5d         88 2S 2L 1S 1L 3S 3L
IV/Ra.5d Ra.5d         88 4S 4L 5S 5L
#
II/Ac.6p Ac.6p         89 2S 2L 1S 1L 3S 3L
IV/Ac.6p Ac.6p         89 4S 4L 5S 5L
#
II/Th.5d Th.5d         90 2S 1S 3S
II/Th.6p Th.6p         90 2L 1L 3L
IV/Th.5d Th.5d         90 4S 5S
IV/Th.6p Th.6p         90 4L 5L
#
II/Pa.5d Pa.5d         91 2S 1S 3S
II/Pa.6p Pa.6p         91 2L 1L 3L
IV/Pa.5d Pa.5d         91 4S 5S
IV/Pa.6p Pa.6p         91 4L 5L
#
II/U.5d U.5d          92 2S 1S 3S
II/U.6p U.6p          92 2L 1L 3L
IV/U.5d U.5d          92 4S 5S
IV/U.6p U.6p          92 4L 5L
#
II/Np.5d Np.5d         93 2S 1S 3S
II/Np.6p Np.6p         93 2L 1L 3L
IV/Np.5d Np.5d         93 4S 5S
IV/Np.6p Np.6p         93 4L 5L
#
II/Pu.5d Pu.5d         94 2S 1S 3S
II/Pu.6p Pu.6p         94 2L 1L 3L
IV/Pu.5d Pu.5d         94 4S 5S
IV/Pu.6p Pu.6p         94 4L 5L
#
II/Am.5d Am.5d         95 2S 1S 3S
II/Am.6p Am.6p         95 2L 1L 3L
IV/Am.5d Am.5d         95 4S 5S
IV/Am.6p Am.6p         95 4L 5L
#
II/Cm.6p Cm.6p         96 2S 2L 1S 1L 3S 3L
IV/Cm.6p Cm.6p         96 4S 4L 5S 5L
#
II/Bk.6p Bk.6p         97 2S 2L 1S 1L 3S 3L
IV/Bk.6p Bk.6p         97 4S 4L 5S 5L
#
II/Cf.6p Cf.6p         98 2S 2L 1S 1L 3S 3L
IV/Cf.6p Cf.6p         98 4S 4L 5S 5L
#
II/Es.6p Es.6p         99 2S 2L 1S 1L 3S 3L
IV/Es.6p Es.6p         99 4S 4L 5S 5L
#
II/Fm.6p Fm.6p        100 2S 2L 1S 1L 3S 3L
IV/Fm.6p Fm.6p        100 4S 4L 5S 5L
#
II/Md.6p Md.6p        101 2S 2L 1S 1L 3S 3L
IV/Md.6p Md.6p        101 4S 4L 5S 5L
#
II/No.6p No.6p        102 2S 2L 1S 1L 3S 3L
IV/No.6p No.6p        102 4S 4L 5S 5L
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II/Lr.6p Lr.6p        103 2S 2L 1S 1L 3S 3L
IV/Lr.6p Lr.6p        103 4S 4L 5S 5L
