# all_value

name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Mn
data:
MANGANESE
S   15
  1      0.185706D+08           0.196174D-05     
  2      0.292689D+07           0.141503D-04     
  3      0.695583D+06           0.706748D-04     
  4      0.203517D+06           0.287788D-03     
  5      0.682177D+05           0.101460D-02     
  6      0.253041D+05           0.318675D-02     
  7      0.101884D+05           0.909271D-02     
  8      0.437251D+04           0.240018D-01     
  9      0.197991D+04           0.578436D-01     
 10      0.940856D+03           0.125511D+00     
 11      0.469866D+03           0.235019D+00     
 12      0.240372D+03           0.394732D+00     
 13      0.121790D+03           0.500000D+00     
 14      0.615943D+02           0.363896D+00     
 15      0.306268D+02           0.952275D-01     
S   7
  1      0.139479D+04          -0.113446D-02     
  2      0.432222D+03          -0.113125D-01     
  3      0.167944D+03          -0.492836D-01     
  4      0.748318D+02          -0.984415D-01     
  5      0.176380D+02           0.340449D+00     
  6      0.919868D+01           0.500000D+00     
  7      0.491608D+01           0.272625D+00     
S   5
  1      0.629115D+02           0.453058D-02     
  2      0.173108D+02          -0.728127D-01     
  3      0.820556D+01          -0.280706D+00     
  4      0.426201D+01          -0.165660D+00     
  5      0.256870D+01           0.500000D+00     
S   1
  1      0.122371D+01           1.0000000        
S   1
  1      0.560232D+00           1.0000000        
S   1
  1      0.175186D+00           1.0000000        
S   1
  1      0.760602D-01           1.0000000        
S   1
  1      0.306617D-01           1.0000000        
P   12
  1      0.388916D+05           0.149443D-04     
  2      0.928399D+04           0.130745D-03     
  3      0.305938D+04           0.743093D-03     
  4      0.119516D+04           0.324623D-02     
  5      0.523541D+03           0.116100D-01     
  6      0.244534D+03           0.376802D-01     
  7      0.120044D+03           0.978838D-01     
  8      0.623125D+02           0.210442D+00     
  9      0.339856D+02           0.354589D+00     
 10      0.187921D+02           0.500000D+00     
 11      0.103158D+02           0.464404D+00     
 12      0.567316D+01           0.231456D+00     
P   5
  1      0.806566D+02          -0.429677D-02     
  2      0.287812D+02          -0.293167D-01     
  3      0.124365D+02          -0.289181D-01     
  4      0.547677D+01           0.137852D+00     
  5      0.303696D+01           0.500000D+00     
P   1
  1      0.155001D+01           1.0000000        
P   1
  1      0.743132D+00           1.0000000        
P   1
  1      0.330193D+00           1.0000000        
P   1
  1      0.860000D-01           1.0000000        
D   8
  1      0.491188D+03           0.248162D-03     
  2      0.146212D+03           0.238857D-02     
  3      0.554983D+02           0.137807D-01     
  4      0.241571D+02           0.495565D-01     
  5      0.120395D+02           0.120387D+00     
  6      0.604969D+01           0.267440D+00     
  7      0.310507D+01           0.418498D+00     
  8      0.159016D+01           0.500000D+00     
D   1
  1      0.796968D+00           1.0000000        
D   1
  1      0.384494D+00           1.0000000        
D   1
  1      0.176955D+00           1.0000000        
D   1
  1      0.752196D-01           1.0000000        
F   1
  1      0.159450D+02           1.0000000        
F   1
  1      0.498300D+01           1.0000000        
F   1
  1      0.184600D+01           1.0000000        
F   1
  1      0.769000D+00           1.0000000        
F   1
  1      0.320000D+00           1.0000000        
G   1
  1      0.861200D+01           1.0000000        
G   1
  1      0.215300D+01           1.0000000        
G   1
  1      0.538000D+00           1.0000000        
H   1
  1      0.465100D+01           1.0000000        
H   1
  1      0.103300D+01           1.0000000        
I   1
  1      0.235600D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Fe
data:
IRON
S   15
  1      0.192457D+08           0.210715D-05     
  2      0.302444D+07           0.152725D-04     
  3      0.718594D+06           0.760475D-04     
  4      0.211055D+06           0.307703D-03     
  5      0.709433D+05           0.108352D-02     
  6      0.262661D+05           0.343323D-02     
  7      0.104999D+05           0.990840D-02     
  8      0.448558D+04           0.260913D-01     
  9      0.203423D+04           0.622545D-01     
 10      0.968387D+03           0.134886D+00     
 11      0.483792D+03           0.248337D+00     
 12      0.250601D+03           0.400349D+00     
 13      0.128944D+03           0.500000D+00     
 14      0.658323D+02           0.360956D+00     
 15      0.329477D+02           0.934712D-01     
S   7
  1      0.150635D+04          -0.114556D-02     
  2      0.467008D+03          -0.114096D-01     
  3      0.181560D+03          -0.496710D-01     
  4      0.810517D+02          -0.985510D-01     
  5      0.192461D+02           0.340809D+00     
  6      0.100443D+02           0.500000D+00     
  7      0.537553D+01           0.268101D+00     
S   5
  1      0.682697D+02           0.498959D-02     
  2      0.193110D+02          -0.729537D-01     
  3      0.922467D+01          -0.291403D+00     
  4      0.510523D+01          -0.149678D+00     
  5      0.275490D+01           0.500000D+00     
S   1
  1      0.135479D+01           1.0000000        
S   1
  1      0.622735D+00           1.0000000        
S   1
  1      0.183343D+00           1.0000000        
S   1
  1      0.792769D-01           1.0000000        
S   1
  1      0.321960D-01           1.0000000        
P   12
  1      0.436964D+05           0.142851D-04     
  2      0.102125D+05           0.129685D-03     
  3      0.332912D+04           0.746293D-03     
  4      0.129722D+04           0.325123D-02     
  5      0.571526D+03           0.113911D-01     
  6      0.270272D+03           0.361894D-01     
  7      0.133798D+03           0.945343D-01     
  8      0.692919D+02           0.207911D+00     
  9      0.376452D+02           0.352027D+00     
 10      0.208209D+02           0.500000D+00     
 11      0.113518D+02           0.473937D+00     
 12      0.614748D+01           0.230267D+00     
P   5
  1      0.916047D+02          -0.390179D-02     
  2      0.330467D+02          -0.265498D-01     
  3      0.151385D+02          -0.276222D-01     
  4      0.569588D+01           0.164585D+00     
  5      0.318952D+01           0.500000D+00     
P   1
  1      0.164622D+01           1.0000000        
P   1
  1      0.797358D+00           1.0000000        
P   1
  1      0.358452D+00           1.0000000        
P   1
  1      0.960000D-01           1.0000000        
D   8
  1      0.542429D+03           0.267132D-03     
  2      0.163506D+03           0.252300D-02     
  3      0.625202D+02           0.144801D-01     
  4      0.274431D+02           0.519673D-01     
  5      0.136592D+02           0.130656D+00     
  6      0.686481D+01           0.284212D+00     
  7      0.359488D+01           0.424863D+00     
  8      0.191627D+01           0.500000D+00     
D   1
  1      0.987591D+00           1.0000000        
D   1
  1      0.470375D+00           1.0000000        
D   1
  1      0.206073D+00           1.0000000        
D   1
  1      0.813558D-01           1.0000000        
F   1
  1      0.175400D+02           1.0000000        
F   1
  1      0.548100D+01           1.0000000        
F   1
  1      0.203000D+01           1.0000000        
F   1
  1      0.846000D+00           1.0000000        
F   1
  1      0.352000D+00           1.0000000        
G   1
  1      0.947400D+01           1.0000000        
G   1
  1      0.236800D+01           1.0000000        
G   1
  1      0.592000D+00           1.0000000        
H   1
  1      0.511600D+01           1.0000000        
H   1
  1      0.113700D+01           1.0000000        
I   1
  1      0.259200D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Co
data:
COBALT
S   15
  1      0.205496D+08           0.218687D-05     
  2      0.320607D+07           0.160353D-04     
  3      0.755437D+06           0.807816D-04     
  4      0.220231D+06           0.329637D-03     
  5      0.736649D+05           0.116499D-02     
  6      0.272445D+05           0.368093D-02     
  7      0.109062D+05           0.106039D-01     
  8      0.465026D+04           0.281331D-01     
  9      0.209874D+04           0.673386D-01     
 10      0.996959D+03           0.145269D+00     
 11      0.497369D+03           0.264548D+00     
 12      0.259779D+03           0.409239D+00     
 13      0.135822D+03           0.500000D+00     
 14      0.700954D+02           0.359194D+00     
 15      0.352619D+02           0.917726D-01     
S   7
  1      0.164597D+04          -0.112744D-02     
  2      0.510253D+03          -0.112723D-01     
  3      0.198145D+03          -0.496487D-01     
  4      0.881339D+02          -0.999818D-01     
  5      0.208335D+02           0.347007D+00     
  6      0.108860D+02           0.500000D+00     
  7      0.586320D+01           0.264723D+00     
S   5
  1      0.745017D+02           0.501061D-02     
  2      0.212333D+02          -0.703134D-01     
  3      0.101861D+02          -0.292176D+00     
  4      0.559195D+01          -0.143521D+00     
  5      0.299602D+01           0.500000D+00     
S   1
  1      0.148275D+01           1.0000000        
S   1
  1      0.682807D+00           1.0000000        
S   1
  1      0.192829D+00           1.0000000        
S   1
  1      0.826733D-01           1.0000000        
S   1
  1      0.337107D-01           1.0000000        
P   12
  1      0.478569D+05           0.142656D-04     
  2      0.109949D+05           0.133550D-03     
  3      0.355161D+04           0.775882D-03     
  4      0.138163D+04           0.336906D-02     
  5      0.610716D+03           0.116757D-01     
  6      0.290309D+03           0.368361D-01     
  7      0.143856D+03           0.967969D-01     
  8      0.742488D+02           0.215124D+00     
  9      0.401382D+02           0.361821D+00     
 10      0.223012D+02           0.500000D+00     
 11      0.122262D+02           0.471057D+00     
 12      0.659391D+01           0.226693D+00     
P   5
  1      0.104960D+03          -0.332109D-02     
  2      0.385078D+02          -0.222979D-01     
  3      0.185552D+02          -0.270214D-01     
  4      0.583067D+01           0.203987D+00     
  5      0.321898D+01           0.500000D+00     
P   1
  1      0.168631D+01           1.0000000        
P   1
  1      0.830154D+00           1.0000000        
P   1
  1      0.379726D+00           1.0000000        
P   1
  1      0.105000D+00           1.0000000        
D   8
  1      0.586036D+03           0.263838D-03     
  2      0.177882D+03           0.246226D-02     
  3      0.683303D+02           0.140842D-01     
  4      0.299851D+02           0.513778D-01     
  5      0.147888D+02           0.131719D+00     
  6      0.736406D+01           0.288294D+00     
  7      0.377541D+01           0.434110D+00     
  8      0.194621D+01           0.500000D+00     
D   1
  1      0.980631D+00           1.0000000        
D   1
  1      0.468173D+00           1.0000000        
D   1
  1      0.209296D+00           1.0000000        
D   1
  1      0.853651D-01           1.0000000        
F   1
  1      0.192940D+02           1.0000000        
F   1
  1      0.602900D+01           1.0000000        
F   1
  1      0.223300D+01           1.0000000        
F   1
  1      0.930000D+00           1.0000000        
F   1
  1      0.388000D+00           1.0000000        
G   1
  1      0.104210D+02           1.0000000        
G   1
  1      0.260500D+01           1.0000000        
G   1
  1      0.651000D+00           1.0000000        
H   1
  1      0.562700D+01           1.0000000        
H   1
  1      0.125100D+01           1.0000000        
I   1
  1      0.285100D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ni
data:
NICKEL
S   15
  1      0.226045D+08           0.219086D-05     
  2      0.348523D+07           0.162319D-04     
  3      0.821666D+06           0.814234D-04     
  4      0.239480D+06           0.333630D-03     
  5      0.796578D+05           0.119423D-02     
  6      0.291311D+05           0.385015D-02     
  7      0.114991D+05           0.112832D-01     
  8      0.485951D+04           0.300259D-01     
  9      0.218266D+04           0.721476D-01     
 10      0.103004D+04           0.156927D+00     
 11      0.510109D+03           0.284004D+00     
 12      0.267583D+03           0.420858D+00     
 13      0.141926D+03           0.500000D+00     
 14      0.741847D+02           0.354104D+00     
 15      0.377044D+02           0.901069D-01     
S   7
  1      0.176505D+04          -0.113666D-02     
  2      0.547730D+03          -0.113487D-01     
  3      0.212790D+03          -0.499457D-01     
  4      0.948156D+02          -0.998019D-01     
  5      0.226056D+02           0.345495D+00     
  6      0.118134D+02           0.500000D+00     
  7      0.636556D+01           0.260542D+00     
S   5
  1      0.841327D+02           0.499565D-02     
  2      0.228770D+02          -0.720132D-01     
  3      0.112777D+02          -0.287812D+00     
  4      0.636136D+01          -0.153742D+00     
  5      0.328630D+01           0.500000D+00     
S   1
  1      0.162758D+01           1.0000000        
S   1
  1      0.747227D+00           1.0000000        
S   1
  1      0.204487D+00           1.0000000        
S   1
  1      0.866468D-01           1.0000000        
S   1
  1      0.352366D-01           1.0000000        
P   12
  1      0.510862D+05           0.145663D-04     
  2      0.119182D+05           0.132908D-03     
  3      0.386859D+04           0.773381D-03     
  4      0.149475D+04           0.344493D-02     
  5      0.649286D+03           0.124408D-01     
  6      0.303371D+03           0.399970D-01     
  7      0.148806D+03           0.105083D+00     
  8      0.765799D+02           0.231376D+00     
  9      0.412660D+02           0.381195D+00     
 10      0.231192D+02           0.500000D+00     
 11      0.127891D+02           0.460163D+00     
 12      0.689828D+01           0.211392D+00     
P   5
  1      0.119262D+03          -0.280547D-02     
  2      0.443601D+02          -0.186957D-01     
  3      0.216479D+02          -0.267984D-01     
  4      0.615618D+01           0.221229D+00     
  5      0.329528D+01           0.500000D+00     
P   1
  1      0.171617D+01           1.0000000        
P   1
  1      0.852964D+00           1.0000000        
P   1
  1      0.396586D+00           1.0000000        
P   1
  1      0.115000D+00           1.0000000        
D   8
  1      0.619736D+03           0.275732D-03     
  2      0.188040D+03           0.257032D-02     
  3      0.722598D+02           0.147041D-01     
  4      0.315336D+02           0.545355D-01     
  5      0.154737D+02           0.136871D+00     
  6      0.774043D+01           0.294152D+00     
  7      0.392820D+01           0.441023D+00     
  8      0.197449D+01           0.500000D+00     
D   1
  1      0.971624D+00           1.0000000        
D   1
  1      0.461751D+00           1.0000000        
D   1
  1      0.208723D+00           1.0000000        
D   1
  1      0.869191D-01           1.0000000        
F   1
  1      0.212230D+02           1.0000000        
F   1
  1      0.663200D+01           1.0000000        
F   1
  1      0.245600D+01           1.0000000        
F   1
  1      0.102300D+01           1.0000000        
F   1
  1      0.426000D+00           1.0000000        
G   1
  1      0.114630D+02           1.0000000        
G   1
  1      0.286600D+01           1.0000000        
G   1
  1      0.716000D+00           1.0000000        
H   1
  1      0.619000D+01           1.0000000        
H   1
  1      0.137600D+01           1.0000000        
I   1
  1      0.313600D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Cu
data:
COPPER
S   15
  1      0.256111D+08           0.211418D-05     
  2      0.388611D+07           0.160459D-04     
  3      0.900618D+06           0.824480D-04     
  4      0.258574D+06           0.343350D-03     
  5      0.852131D+05           0.123868D-02     
  6      0.309973D+05           0.400950D-02     
  7      0.121964D+05           0.117902D-01     
  8      0.513313D+04           0.316136D-01     
  9      0.228938D+04           0.768955D-01     
 10      0.106952D+04           0.169364D+00     
 11      0.523482D+03           0.307663D+00     
 12      0.273834D+03           0.437748D+00     
 13      0.147140D+03           0.500000D+00     
 14      0.777576D+02           0.349196D+00     
 15      0.396919D+02           0.856354D-01     
S   7
  1      0.188923D+04          -0.114973D-02     
  2      0.586940D+03          -0.114234D-01     
  3      0.228495D+03          -0.501121D-01     
  4      0.101982D+03          -0.100040D+00     
  5      0.243964D+02           0.347340D+00     
  6      0.127560D+02           0.500000D+00     
  7      0.691793D+01           0.257316D+00     
S   5
  1      0.942983D+02           0.490567D-02     
  2      0.245710D+02          -0.722470D-01     
  3      0.123549D+02          -0.286782D+00     
  4      0.666157D+01          -0.180329D+00     
  5      0.371875D+01           0.500000D+00     
S   1
  1      0.179241D+01           1.0000000        
S   1
  1      0.815833D+00           1.0000000        
S   1
  1      0.219506D+00           1.0000000        
S   1
  1      0.920536D-01           1.0000000        
S   1
  1      0.371695D-01           1.0000000        
P   12
  1      0.531070D+05           0.155697D-04     
  2      0.125631D+05           0.139506D-03     
  3      0.408436D+04           0.817710D-03     
  4      0.156046D+04           0.376647D-02     
  5      0.664863D+03           0.140942D-01     
  6      0.306232D+03           0.457335D-01     
  7      0.148640D+03           0.120172D+00     
  8      0.762992D+02           0.258189D+00     
  9      0.410098D+02           0.413331D+00     
 10      0.231630D+02           0.500000D+00     
 11      0.130403D+02           0.434124D+00     
 12      0.715043D+01           0.187897D+00     
P   5
  1      0.133802D+03          -0.252674D-02     
  2      0.501926D+02          -0.169774D-01     
  3      0.243410D+02          -0.275489D-01     
  4      0.664748D+01           0.226210D+00     
  5      0.350949D+01           0.500000D+00     
P   1
  1      0.181603D+01           1.0000000        
P   1
  1      0.903634D+00           1.0000000        
P   1
  1      0.422277D+00           1.0000000        
P   1
  1      0.127000D+00           1.0000000        
D   8
  1      0.641904D+03           0.315158D-03     
  2      0.196087D+03           0.289240D-02     
  3      0.755527D+02           0.165093D-01     
  4      0.327362D+02           0.626001D-01     
  5      0.158964D+02           0.153887D+00     
  6      0.804568D+01           0.311478D+00     
  7      0.415375D+01           0.445895D+00     
  8      0.212279D+01           0.500000D+00     
D   1
  1      0.105070D+01           1.0000000        
D   1
  1      0.494072D+00           1.0000000        
D   1
  1      0.217365D+00           1.0000000        
D   1
  1      0.871381D-01           1.0000000        
F   1
  1      0.233460D+02           1.0000000        
F   1
  1      0.729500D+01           1.0000000        
F   1
  1      0.270200D+01           1.0000000        
F   1
  1      0.112600D+01           1.0000000        
F   1
  1      0.469000D+00           1.0000000        
G   1
  1      0.126090D+02           1.0000000        
G   1
  1      0.315200D+01           1.0000000        
G   1
  1      0.788000D+00           1.0000000        
H   1
  1      0.680900D+01           1.0000000        
H   1
  1      0.151300D+01           1.0000000        
I   1
  1      0.345000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Zn
data:
ZINC
S   15
  1      0.298846D+08           0.197606D-05     
  2      0.444103D+07           0.154954D-04     
  3      0.100850D+07           0.815541D-04     
  4      0.285707D+06           0.344357D-03     
  5      0.932377D+05           0.125601D-02     
  6      0.336396D+05           0.410920D-02     
  7      0.131122D+05           0.122701D-01     
  8      0.544719D+04           0.336182D-01     
  9      0.239116D+04           0.834048D-01     
 10      0.110230D+04           0.184852D+00     
 11      0.534666D+03           0.333989D+00     
 12      0.279950D+03           0.454940D+00     
 13      0.152902D+03           0.500000D+00     
 14      0.819997D+02           0.347730D+00     
 15      0.422250D+02           0.850688D-01     
S   7
  1      0.203667D+04          -0.113510D-02     
  2      0.632194D+03          -0.113330D-01     
  3      0.245709D+03          -0.501037D-01     
  4      0.109467D+03          -0.100282D+00     
  5      0.263134D+02           0.345369D+00     
  6      0.137626D+02           0.500000D+00     
  7      0.744532D+01           0.253740D+00     
S   5
  1      0.999249D+02           0.510897D-02     
  2      0.279777D+02          -0.582307D-01     
  3      0.142912D+02          -0.265808D+00     
  4      0.774378D+01          -0.207162D+00     
  5      0.401172D+01           0.500000D+00     
S   1
  1      0.192590D+01           1.0000000        
S   1
  1      0.874163D+00           1.0000000        
S   1
  1      0.230815D+00           1.0000000        
S   1
  1      0.951386D-01           1.0000000        
S   1
  1      0.380407D-01           1.0000000        
P   12
  1      0.539553D+05           0.183250D-04     
  2      0.123443D+05           0.173174D-03     
  3      0.394773D+04           0.103389D-02     
  4      0.150075D+04           0.475235D-02     
  5      0.638896D+03           0.176500D-01     
  6      0.295786D+03           0.558156D-01     
  7      0.143621D+03           0.145510D+00     
  8      0.737255D+02           0.302644D+00     
  9      0.394821D+02           0.468070D+00     
 10      0.224753D+02           0.500000D+00     
 11      0.130682D+02           0.400287D+00     
 12      0.734135D+01           0.167480D+00     
P   5
  1      0.150514D+03          -0.221475D-02     
  2      0.568231D+02          -0.151133D-01     
  3      0.273055D+02          -0.277596D-01     
  4      0.712040D+01           0.231158D+00     
  5      0.368647D+01           0.500000D+00     
P   1
  1      0.188317D+01           1.0000000        
P   1
  1      0.935559D+00           1.0000000        
P   1
  1      0.440409D+00           1.0000000        
P   1
  1      0.139000D+00           1.0000000        
D   8
  1      0.649649D+03           0.361818D-03     
  2      0.199853D+03           0.324451D-02     
  3      0.775800D+02           0.181699D-01     
  4      0.335213D+02           0.698837D-01     
  5      0.160073D+02           0.172631D+00     
  6      0.802652D+01           0.338737D+00     
  7      0.407077D+01           0.467311D+00     
  8      0.203678D+01           0.500000D+00     
D   1
  1      0.989938D+00           1.0000000        
D   1
  1      0.460936D+00           1.0000000        
D   1
  1      0.202541D+00           1.0000000        
D   1
  1      0.815699D-01           1.0000000        
F   1
  1      0.256800D+02           1.0000000        
F   1
  1      0.802500D+01           1.0000000        
F   1
  1      0.297200D+01           1.0000000        
F   1
  1      0.123800D+01           1.0000000        
F   1
  1      0.516000D+00           1.0000000        
G   1
  1      0.138700D+02           1.0000000        
G   1
  1      0.346800D+01           1.0000000        
G   1
  1      0.867000D+00           1.0000000        
H   1
  1      0.749000D+01           1.0000000        
H   1
  1      0.166400D+01           1.0000000        
I   1
  1      0.379500D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ga
data:
GALLIUM
S   15
  1      0.317897D+08           0.191727D-05     
  2      0.479180D+07           0.147612D-04     
  3      0.109755D+07           0.770084D-04     
  4      0.312559D+06           0.323408D-03     
  5      0.102497D+06           0.117067D-02     
  6      0.372460D+05           0.378205D-02     
  7      0.146845D+05           0.110700D-01     
  8      0.619546D+04           0.296946D-01     
  9      0.275759D+04           0.732585D-01     
 10      0.127579D+04           0.165506D+00     
 11      0.615885D+03           0.308258D+00     
 12      0.318181D+03           0.442335D+00     
 13      0.170733D+03           0.500000D+00     
 14      0.907581D+02           0.355371D+00     
 15      0.465457D+02           0.918630D-01     
S   7
  1      0.218261D+04          -0.113285D-02     
  2      0.677389D+03          -0.113365D-01     
  3      0.263003D+03          -0.503713D-01     
  4      0.117076D+03          -0.100778D+00     
  5      0.283393D+02           0.343442D+00     
  6      0.148891D+02           0.500000D+00     
  7      0.809862D+01           0.256983D+00     
S   5
  1      0.108697D+03           0.506683D-02     
  2      0.291845D+02          -0.665570D-01     
  3      0.147842D+02          -0.290103D+00     
  4      0.765786D+01          -0.202516D+00     
  5      0.446234D+01           0.500000D+00     
S   1
  1      0.214440D+01           1.0000000        
S   1
  1      0.993379D+00           1.0000000        
S   1
  1      0.296961D+00           1.0000000        
S   1
  1      0.131876D+00           1.0000000        
S   1
  1      0.548687D-01           1.0000000        
P   12
  1      0.780161D+05           0.104417D-04     
  2      0.155608D+05           0.120711D-03     
  3      0.470851D+04           0.773983D-03     
  4      0.173820D+04           0.371178D-02     
  5      0.726979D+03           0.141588D-01     
  6      0.333145D+03           0.453571D-01     
  7      0.162036D+03           0.117324D+00     
  8      0.835964D+02           0.248738D+00     
  9      0.441915D+02           0.418850D+00     
 10      0.237275D+02           0.500000D+00     
 11      0.126016D+02           0.360826D+00     
 12      0.645261D+01           0.101315D+00     
P   6
  1      0.169133D+03          -0.146991D-02     
  2      0.642394D+02          -0.102062D-01     
  3      0.305479D+02          -0.211265D-01     
  4      0.753507D+01           0.186182D+00     
  5      0.369293D+01           0.469512D+00     
  6      0.182601D+01           0.500000D+00     
P   3
  1      0.318733D+01          -0.224581D+00     
  2      0.159559D+01          -0.308838D+00     
  3      0.912830D+00           0.500000D+00     
P   1
  1      0.376150D+00           1.0000000        
P   1
  1      0.159539D+00           1.0000000        
P   1
  1      0.656630D-01           1.0000000        
P   1
  1      0.252439D-01           1.0000000        
D   9
  1      0.658119D+03           0.756416D-03     
  2      0.198378D+03           0.701018D-02     
  3      0.765621D+02           0.387230D-01     
  4      0.329397D+02           0.148698D+00     
  5      0.154239D+02           0.365386D+00     
  6      0.768320D+01           0.666860D+00     
  7      0.388095D+01           0.846397D+00     
  8      0.201063D+01           0.761803D+00     
  9      0.116818D+01           0.500000D+00     
D   1
  1      0.680386D+00           1.0000000        
D   1
  1      0.332083D+00           1.0000000        
D   1
  1      0.142641D+00           1.0000000        
D   1
  1      0.560000D-01           1.0000000        
F   1
  1      0.525000D+01           1.0000000        
F   1
  1      0.155000D+01           1.0000000        
F   1
  1      0.450000D+00           1.0000000        
F   1
  1      0.182000D+00           1.0000000        
G   1
  1      0.140000D+01           1.0000000        
G   1
  1      0.350000D+00           1.0000000        
H   1
  1      0.520000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ge
data:
GERMANIUM
S   15
  1      0.399802D+08           0.150863D-05     
  2      0.579509D+07           0.122129D-04     
  3      0.129950D+07           0.649459D-04     
  4      0.366380D+06           0.274960D-03     
  5      0.119455D+06           0.100090D-02     
  6      0.432428D+05           0.324673D-02     
  7      0.170013D+05           0.953503D-02     
  8      0.716493D+04           0.255940D-01     
  9      0.319318D+04           0.631592D-01     
 10      0.148133D+04           0.143124D+00     
 11      0.717138D+03           0.272362D+00     
 12      0.365680D+03           0.421042D+00     
 13      0.190511D+03           0.500000D+00     
 14      0.989576D+02           0.356218D+00     
 15      0.501180D+02           0.909788D-01     
S   7
  1      0.233168D+04          -0.113520D-02     
  2      0.723450D+03          -0.113727D-01     
  3      0.280893D+03          -0.506303D-01     
  4      0.125028D+03          -0.101366D+00     
  5      0.304084D+02           0.342876D+00     
  6      0.160379D+02           0.500000D+00     
  7      0.875708D+01           0.259577D+00     
S   5
  1      0.118962D+03           0.522300D-02     
  2      0.306527D+02          -0.749830D-01     
  3      0.157093D+02          -0.305702D+00     
  4      0.837045D+01          -0.189758D+00     
  5      0.476419D+01           0.500000D+00     
S   1
  1      0.235287D+01           1.0000000        
S   1
  1      0.111276D+01           1.0000000        
S   1
  1      0.364622D+00           1.0000000        
S   1
  1      0.167446D+00           1.0000000        
S   1
  1      0.705201D-01           1.0000000        
P   12
  1      0.806017D+05           0.105297D-04     
  2      0.170742D+05           0.111289D-03     
  3      0.531641D+04           0.684965D-03     
  4      0.199385D+04           0.323081D-02     
  5      0.838546D+03           0.124170D-01     
  6      0.381777D+03           0.410365D-01     
  7      0.184076D+03           0.109033D+00     
  8      0.938999D+02           0.239265D+00     
  9      0.491825D+02           0.411195D+00     
 10      0.262863D+02           0.500000D+00     
 11      0.139348D+02           0.369392D+00     
 12      0.713061D+01           0.107585D+00     
P   6
  1      0.179565D+03          -0.151115D-02     
  2      0.681262D+02          -0.105524D-01     
  3      0.323564D+02          -0.211412D-01     
  4      0.828487D+01           0.176333D+00     
  5      0.413085D+01           0.448945D+00     
  6      0.205889D+01           0.500000D+00     
P   3
  1      0.367763D+01          -0.190203D+00     
  2      0.184307D+01          -0.315563D+00     
  3      0.103952D+01           0.500000D+00     
P   1
  1      0.436406D+00           1.0000000        
P   1
  1      0.195914D+00           1.0000000        
P   1
  1      0.850052D-01           1.0000000        
P   1
  1      0.342488D-01           1.0000000        
D   9
  1      0.763872D+03           0.564657D-03     
  2      0.233678D+03           0.507676D-02     
  3      0.917026D+02           0.277850D-01     
  4      0.401249D+02           0.106402D+00     
  5      0.192684D+02           0.266234D+00     
  6      0.973719D+01           0.515817D+00     
  7      0.503657D+01           0.690197D+00     
  8      0.267280D+01           0.668470D+00     
  9      0.152733D+01           0.500000D+00     
D   1
  1      0.862814D+00           1.0000000        
D   1
  1      0.423482D+00           1.0000000        
D   1
  1      0.179751D+00           1.0000000        
D   1
  1      0.730000D-01           1.0000000        
F   1
  1      0.578000D+01           1.0000000        
F   1
  1      0.170000D+01           1.0000000        
F   1
  1      0.500000D+00           1.0000000        
F   1
  1      0.200000D+00           1.0000000        
G   1
  1      0.154000D+01           1.0000000        
G   1
  1      0.380000D+00           1.0000000        
H   1
  1      0.520000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: As
data:
ARSENIC
S   15
  1      0.488573D+08           0.122103D-05     
  2      0.698839D+07           0.100820D-04     
  3      0.154884D+07           0.543088D-04     
  4      0.433701D+06           0.231549D-03     
  5      0.140707D+06           0.847023D-03     
  6      0.508672D+05           0.274175D-02     
  7      0.200250D+05           0.804428D-02     
  8      0.843190D+04           0.217424D-01     
  9      0.374743D+04           0.541277D-01     
 10      0.173583D+04           0.123463D+00     
 11      0.839174D+03           0.242024D+00     
 12      0.419834D+03           0.403397D+00     
 13      0.212131D+03           0.500000D+00     
 14      0.108030D+03           0.357174D+00     
 15      0.543921D+02           0.927460D-01     
S   7
  1      0.249386D+04          -0.112362D-02     
  2      0.773719D+03          -0.112830D-01     
  3      0.300147D+03          -0.505152D-01     
  4      0.133418D+03          -0.101579D+00     
  5      0.324717D+02           0.343904D+00     
  6      0.171296D+02           0.500000D+00     
  7      0.939110D+01           0.256211D+00     
S   5
  1      0.129335D+03           0.552361D-02     
  2      0.323807D+02          -0.833571D-01     
  3      0.168764D+02          -0.320060D+00     
  4      0.929535D+01          -0.197693D+00     
  5      0.516293D+01           0.500000D+00     
S   1
  1      0.259789D+01           1.0000000        
S   1
  1      0.124588D+01           1.0000000        
S   1
  1      0.441757D+00           1.0000000        
S   1
  1      0.206779D+00           1.0000000        
S   1
  1      0.870709D-01           1.0000000        
P   12
  1      0.832005D+05           0.104350D-04     
  2      0.185181D+05           0.104194D-03     
  3      0.578181D+04           0.650084D-03     
  4      0.216048D+04           0.307532D-02     
  5      0.913162D+03           0.115813D-01     
  6      0.421469D+03           0.373116D-01     
  7      0.205702D+03           0.992825D-01     
  8      0.104640D+03           0.227165D+00     
  9      0.539783D+02           0.407014D+00     
 10      0.283573D+02           0.500000D+00     
 11      0.149011D+02           0.360824D+00     
 12      0.762995D+01           0.102217D+00     
P   6
  1      0.197940D+03          -0.145767D-02     
  2      0.748396D+02          -0.105079D-01     
  3      0.351041D+02          -0.222421D-01     
  4      0.896247D+01           0.178101D+00     
  5      0.453478D+01           0.449595D+00     
  6      0.226309D+01           0.500000D+00     
P   3
  1      0.437217D+01          -0.169938D+00     
  2      0.207197D+01          -0.320429D+00     
  3      0.115525D+01           0.500000D+00     
P   1
  1      0.497292D+00           1.0000000        
P   1
  1      0.229438D+00           1.0000000        
P   1
  1      0.102573D+00           1.0000000        
P   1
  1      0.427279D-01           1.0000000        
D   9
  1      0.934789D+03           0.376688D-03     
  2      0.286704D+03           0.346055D-02     
  3      0.112209D+03           0.194037D-01     
  4      0.498721D+02           0.727976D-01     
  5      0.246435D+02           0.187375D+00     
  6      0.126228D+02           0.385968D+00     
  7      0.667789D+01           0.556888D+00     
  8      0.359202D+01           0.602498D+00     
  9      0.199659D+01           0.500000D+00     
D   1
  1      0.113139D+01           1.0000000        
D   1
  1      0.607561D+00           1.0000000        
D   1
  1      0.288290D+00           1.0000000        
D   1
  1      0.800000D-01           1.0000000        
F   1
  1      0.636000D+01           1.0000000        
F   1
  1      0.187000D+01           1.0000000        
F   1
  1      0.550000D+00           1.0000000        
F   1
  1      0.220000D+00           1.0000000        
G   1
  1      0.169000D+01           1.0000000        
G   1
  1      0.420000D+00           1.0000000        
H   1
  1      0.630000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Se
data:
SELENIUM
S   15
  1      0.586003D+08           0.102085D-05     
  2      0.836151D+07           0.842435D-05     
  3      0.185983D+07           0.451900D-04     
  4      0.521131D+06           0.192612D-03     
  5      0.169361D+06           0.703273D-03     
  6      0.610539D+05           0.230211D-02     
  7      0.238471D+05           0.684171D-02     
  8      0.998070D+04           0.185985D-01     
  9      0.441764D+04           0.467919D-01     
 10      0.203611D+04           0.108257D+00     
 11      0.977766D+03           0.219132D+00     
 12      0.481082D+03           0.385280D+00     
 13      0.237999D+03           0.500000D+00     
 14      0.118883D+03           0.369585D+00     
 15      0.589644D+02           0.974788D-01     
S   7
  1      0.266398D+04          -0.111442D-02     
  2      0.825731D+03          -0.112341D-01     
  3      0.319887D+03          -0.506055D-01     
  4      0.141997D+03          -0.102026D+00     
  5      0.346509D+02           0.343874D+00     
  6      0.183144D+02           0.500000D+00     
  7      0.100655D+02           0.256077D+00     
S   5
  1      0.139409D+03           0.561152D-02     
  2      0.344735D+02          -0.851190D-01     
  3      0.180735D+02          -0.326145D+00     
  4      0.987224D+01          -0.202483D+00     
  5      0.557495D+01           0.500000D+00     
S   1
  1      0.283165D+01           1.0000000        
S   1
  1      0.137636D+01           1.0000000        
S   1
  1      0.495754D+00           1.0000000        
S   1
  1      0.232898D+00           1.0000000        
S   1
  1      0.998422D-01           1.0000000        
P   12
  1      0.865060D+05           0.108416D-04     
  2      0.198571D+05           0.100222D-03     
  3      0.646765D+04           0.579215D-03     
  4      0.248508D+04           0.266043D-02     
  5      0.105575D+04           0.102809D-01     
  6      0.478067D+03           0.351650D-01     
  7      0.228327D+03           0.970482D-01     
  8      0.114725D+03           0.223746D+00     
  9      0.592358D+02           0.399419D+00     
 10      0.313078D+02           0.500000D+00     
 11      0.164911D+02           0.376290D+00     
 12      0.842866D+01           0.112003D+00     
P   6
  1      0.203314D+03          -0.158905D-02     
  2      0.771979D+02          -0.111729D-01     
  3      0.365496D+02          -0.218251D-01     
  4      0.981521D+01           0.168674D+00     
  5      0.504045D+01           0.435098D+00     
  6      0.252696D+01           0.500000D+00     
P   3
  1      0.511062D+01          -0.154666D+00     
  2      0.237203D+01          -0.324170D+00     
  3      0.129228D+01           0.500000D+00     
P   1
  1      0.575821D+00           1.0000000        
P   1
  1      0.265678D+00           1.0000000        
P   1
  1      0.116489D+00           1.0000000        
P   1
  1      0.481708D-01           1.0000000        
D   9
  1      0.117658D+04           0.231147D-03     
  2      0.363018D+03           0.217600D-02     
  3      0.141643D+03           0.124495D-01     
  4      0.642490D+02           0.458197D-01     
  5      0.320407D+02           0.130635D+00     
  6      0.162388D+02           0.290458D+00     
  7      0.857006D+01           0.456851D+00     
  8      0.460195D+01           0.533740D+00     
  9      0.248413D+01           0.500000D+00     
D   1
  1      0.129869D+01           1.0000000        
D   1
  1      0.643805D+00           1.0000000        
D   1
  1      0.286774D+00           1.0000000        
D   1
  1      0.105000D+00           1.0000000        
F   1
  1      0.699000D+01           1.0000000        
F   1
  1      0.206000D+01           1.0000000        
F   1
  1      0.610000D+00           1.0000000        
F   1
  1      0.242000D+00           1.0000000        
G   1
  1      0.186000D+01           1.0000000        
G   1
  1      0.460000D+00           1.0000000        
H   1
  1      0.700000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Br
data:
BROMINE
S   15
  1      0.682602D+08           0.884918D-06     
  2      0.997266D+07           0.707959D-05     
  3      0.224640D+07           0.375906D-04     
  4      0.631907D+06           0.160165D-03     
  5      0.205314D+06           0.585951D-03     
  6      0.740388D+05           0.191451D-02     
  7      0.289187D+05           0.571792D-02     
  8      0.120313D+05           0.158098D-01     
  9      0.527192D+04           0.405856D-01     
 10      0.240406D+04           0.959567D-01     
 11      0.113712D+04           0.203111D+00     
 12      0.546811D+03           0.373704D+00     
 13      0.265678D+03           0.500000D+00     
 14      0.131215D+03           0.383653D+00     
 15      0.645067D+02           0.106637D+00     
S   7
  1      0.282346D+04          -0.111094D-02     
  2      0.876196D+03          -0.111687D-01     
  3      0.339866D+03          -0.502879D-01     
  4      0.150964D+03          -0.101617D+00     
  5      0.367442D+02           0.346816D+00     
  6      0.193363D+02           0.500000D+00     
  7      0.106306D+02           0.245813D+00     
S   5
  1      0.149337D+03           0.587962D-02     
  2      0.370419D+02          -0.846224D-01     
  3      0.196627D+02          -0.330433D+00     
  4      0.107491D+02          -0.226285D+00     
  5      0.606527D+01           0.500000D+00     
S   1
  1      0.310054D+01           1.0000000        
S   1
  1      0.152321D+01           1.0000000        
S   1
  1      0.558613D+00           1.0000000        
S   1
  1      0.261398D+00           1.0000000        
S   1
  1      0.112860D+00           1.0000000        
P   12
  1      0.898137D+05           0.108672D-04     
  2      0.210558D+05           0.992105D-04     
  3      0.678087D+04           0.591112D-03     
  4      0.258685D+04           0.271427D-02     
  5      0.110691D+04           0.101851D-01     
  6      0.509663D+03           0.336990D-01     
  7      0.247021D+03           0.920415D-01     
  8      0.124536D+03           0.216774D+00     
  9      0.637600D+02           0.398305D+00     
 10      0.333079D+02           0.500000D+00     
 11      0.174562D+02           0.366900D+00     
 12      0.894689D+01           0.106115D+00     
P   6
  1      0.226864D+03          -0.146990D-02     
  2      0.858138D+02          -0.108018D-01     
  3      0.399917D+02          -0.231515D-01     
  4      0.104840D+02           0.174739D+00     
  5      0.545491D+01           0.432568D+00     
  6      0.277767D+01           0.500000D+00     
P   3
  1      0.595424D+01          -0.141728D+00     
  2      0.274479D+01          -0.323889D+00     
  3      0.141676D+01           0.500000D+00     
P   1
  1      0.656931D+00           1.0000000        
P   1
  1      0.305858D+00           1.0000000        
P   1
  1      0.134891D+00           1.0000000        
P   1
  1      0.566613D-01           1.0000000        
D   9
  1      0.156314D+04           0.132796D-03     
  2      0.478617D+03           0.126961D-02     
  3      0.190571D+03           0.703232D-02     
  4      0.873226D+02           0.281208D-01     
  5      0.420742D+02           0.938136D-01     
  6      0.210134D+02           0.218020D+00     
  7      0.110566D+02           0.379951D+00     
  8      0.586471D+01           0.494469D+00     
  9      0.305986D+01           0.500000D+00     
D   1
  1      0.153322D+01           1.0000000        
D   1
  1      0.732465D+00           1.0000000        
D   1
  1      0.303998D+00           1.0000000        
D   1
  1      0.114000D+00           1.0000000        
F   1
  1      0.769000D+01           1.0000000        
F   1
  1      0.226000D+01           1.0000000        
F   1
  1      0.670000D+00           1.0000000        
F   1
  1      0.266000D+00           1.0000000        
G   1
  1      0.204000D+01           1.0000000        
G   1
  1      0.510000D+00           1.0000000        
H   1
  1      0.770000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Kr
data:
KRYPTON
S   15
  1      0.745495D+08           0.832023D-06     
  2      0.112786D+08           0.636259D-05     
  3      0.259798D+07           0.329276D-04     
  4      0.743639D+06           0.137539D-03     
  5      0.244330D+06           0.498898D-03     
  6      0.885110D+05           0.163010D-02     
  7      0.345639D+05           0.489124D-02     
  8      0.143358D+05           0.136488D-01     
  9      0.623465D+04           0.357553D-01     
 10      0.280809D+04           0.868998D-01     
 11      0.130516D+04           0.191277D+00     
 12      0.616031D+03           0.362931D+00     
 13      0.295621D+03           0.500000D+00     
 14      0.144652D+03           0.400218D+00     
 15      0.704554D+02           0.117399D+00     
S   7
  1      0.299760D+04          -0.110109D-02     
  2      0.930631D+03          -0.110786D-01     
  3      0.360895D+03          -0.500731D-01     
  4      0.160199D+03          -0.101514D+00     
  5      0.389667D+02           0.348003D+00     
  6      0.204636D+02           0.500000D+00     
  7      0.112472D+02           0.239475D+00     
S   5
  1      0.156380D+03           0.606989D-02     
  2      0.402802D+02          -0.786955D-01     
  3      0.213913D+02          -0.333637D+00     
  4      0.114669D+02          -0.249594D+00     
  5      0.659198D+01           0.500000D+00     
S   1
  1      0.338065D+01           1.0000000        
S   1
  1      0.167925D+01           1.0000000        
S   1
  1      0.631112D+00           1.0000000        
S   1
  1      0.294684D+00           1.0000000        
S   1
  1      0.127405D+00           1.0000000        
P   12
  1      0.917750D+05           0.115116D-04     
  2      0.219692D+05           0.100643D-03     
  3      0.722556D+04           0.577237D-03     
  4      0.279978D+04           0.259774D-02     
  5      0.120535D+04           0.977390D-02     
  6      0.553231D+03           0.328946D-01     
  7      0.266115D+03           0.916281D-01     
  8      0.133193D+03           0.217638D+00     
  9      0.680065D+02           0.399715D+00     
 10      0.355597D+02           0.500000D+00     
 11      0.187018D+02           0.367317D+00     
 12      0.962796D+01           0.107531D+00     
P   6
  1      0.245471D+03          -0.146840D-02     
  2      0.928628D+02          -0.109486D-01     
  3      0.430589D+02          -0.243357D-01     
  4      0.111577D+02           0.186443D+00     
  5      0.582826D+01           0.441981D+00     
  6      0.301814D+01           0.500000D+00     
P   3
  1      0.699642D+01          -0.129851D+00     
  2      0.323272D+01          -0.323989D+00     
  3      0.151835D+01           0.500000D+00     
P   1
  1      0.737872D+00           1.0000000        
P   1
  1      0.345461D+00           1.0000000        
P   1
  1      0.153309D+00           1.0000000        
P   1
  1      0.652856D-01           1.0000000        
D   9
  1      0.207384D+04           0.823362D-04     
  2      0.630080D+03           0.819446D-03     
  3      0.249182D+03           0.474655D-02     
  4      0.111833D+03           0.209872D-01     
  5      0.529599D+02           0.730998D-01     
  6      0.268924D+02           0.172418D+00     
  7      0.142893D+02           0.328857D+00     
  8      0.766800D+01           0.462004D+00     
  9      0.407717D+01           0.500000D+00     
D   1
  1      0.212833D+01           1.0000000        
D   1
  1      0.108714D+01           1.0000000        
D   1
  1      0.518192D+00           1.0000000        
D   1
  1      0.218000D+00           1.0000000        
F   1
  1      0.846000D+01           1.0000000        
F   1
  1      0.249000D+01           1.0000000        
F   1
  1      0.730000D+00           1.0000000        
F   1
  1      0.293000D+00           1.0000000        
G   1
  1      0.225000D+01           1.0000000        
G   1
  1      0.560000D+00           1.0000000        
H   1
  1      0.840000D+00           1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Fe
data:
IRON
S   3
  1   3299.184000000            0.06358600       
  2    499.088600000            0.37620200       
  3    109.161400000            0.68178500       
L   3
  1    143.465200000           -0.11055200             0.14110100       
  2     31.168580000            0.09684700             0.56038700       
  3      9.483612000            0.95879700             0.46764400       
L   3
  1      9.464565000           -0.29205600             0.02376200       
  2      3.100373000            0.33752400             0.46891100       
  3      0.986493000            0.85194200             0.60831100       
L   2
  1      0.853412000           -0.22794400            -0.00042600       
  2      0.098812000            1.08828700             1.00012400       
L   1
  1      0.036442000            1.00000000             1.00000000       
D   2
  1     12.354490000            0.26861100       
  2      3.055605000            0.84927200       
D   1
  1      0.738591000            1.0000000        
D   1
  1      0.180600000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Mn
data:
MANGANESE
S   3
  1   3041.686000000            0.06374500       
  2    460.090100000            0.37674900       
  3    100.595800000            0.68124700       
L   3
  1    131.767300000           -0.11029600             0.14045400       
  2     28.569150000            0.09819000             0.55780200       
  3      8.660501000            0.95765900             0.47150100       
L   3
  1      8.569081000           -0.29171400             0.02422400       
  2      2.768178000            0.34396300             0.46866000       
  3      0.887288000            0.84519800             0.60742100       
L   2
  1      0.767443000           -0.23000400             0.00030800       
  2      0.092025000            1.09145000             0.99990700       
L   1
  1      0.033265000            1.00000000             1.00000000       
D   2
  1     11.068840000            0.26527200       
  2      2.730707000            0.85179500       
D   1
  1      0.668509000            1.0000000        
D   1
  1      0.164290000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Ni
data:
NICKEL
S   3
  1   3848.005000000            0.06326600       
  2    582.030700000            0.37517100       
  3    127.367400000            0.68282400       
L   3
  1    168.289600000           -0.11111500             0.14249000       
  2     36.656330000            0.09532400             0.56554700       
  3     11.232120000            0.96016100             0.45999300       
L   3
  1     11.358770000           -0.29206000             0.02613800       
  2      3.738846000            0.33754100             0.47659800       
  3      1.182463000            0.85253300             0.60038000       
L   2
  1      0.988904000           -0.21368700             0.00029400       
  2      0.111025000            1.08193300             0.99991700       
L   1
  1      0.039258000            1.00000000             1.00000000       
D   2
  1     15.220690000            0.27260600       
  2      3.786020000            0.84592800       
D   1
  1      0.904557000            1.0000000        
D   1
  1      0.220560000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Sc
data:
SCANDIUM
S   3
  1   2119.887000000            0.06442100       
  2    320.429900000            0.37916000       
  3     69.898930000            0.67896300       
L   3
  1     89.764500000           -0.10938400             0.13632800       
  2     19.385100000            0.10507000             0.54186000       
  3      5.731423000            0.95220500             0.49505500       
L   3
  1      5.491938000           -0.28521100             0.01761400       
  2      1.743742000            0.32415500             0.43364500       
  3      0.566227000            0.85659200             0.64255100       
L   2
  1      0.516802000           -0.26267800             0.00032700       
  2      0.067214000            1.10807900             0.99989300       
L   1
  1      0.025985000            1.00000000             1.00000000       
D   2
  1      5.722215000            0.26523600       
  2      1.360849000            0.85586100       
D   1
  1      0.322652000            1.0000000        
D   1
  1      0.076620000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Ti
data:
TITANIUM
S   3
  1   2335.020000000            0.06421700       
  2    353.044100000            0.37841200       
  3     77.058450000            0.67968100       
L   3
  1     99.573870000           -0.10947200             0.13729700       
  2     21.546710000            0.10194300             0.54587500       
  3      6.413965000            0.95462200             0.48906800       
L   3
  1      6.238279000           -0.28613700             0.01923700       
  2      1.996108000            0.32182800             0.44044200       
  3      0.646490000            0.85955100             0.63562000       
L   2
  1      0.573285000           -0.24245000             0.00029200       
  2      0.073119000            1.10007500             0.99990700       
L   1
  1      0.026538000            1.00000000             1.00000000       
D   2
  1      7.083666000            0.26292100       
  2      1.709634000            0.85577200       
D   1
  1      0.414123000            1.0000000        
D   1
  1      0.100130000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: V
data:
VANADIUM
S   3
  1   2563.877000000            0.06394800       
  2    387.534000000            0.37759400       
  3     84.598230000            0.68054200       
L   3
  1    109.793800000           -0.10983600             0.13842100       
  2     23.769210000            0.10070700             0.55048900       
  3      7.122961000            0.95563300             0.48241700       
L   3
  1      6.981204000           -0.28845900             0.02182100       
  2      2.219839000            0.33643600             0.45676200       
  3      0.719803000            0.84819000             0.61867500       
L   2
  1      0.631262000           -0.23649000             0.00019000       
  2      0.080062000            1.09772100             0.99994000       
L   1
  1      0.028865000            1.00000000             1.00000000       
D   2
  1      8.342917000            0.26406200       
  2      2.032944000            0.85396600       
D   1
  1      0.495712000            1.0000000        
D   1
  1      0.120830000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Cr
data:
CHROMIUM
S   3
  1   2798.294000000            0.06382400       
  2    423.137000000            0.37708400       
  3     92.438860000            0.68098900       
L   3
  1    120.280600000           -0.11777900             0.13987800       
  2     26.037270000            0.10143100             0.55598300       
  3      7.844172000            0.95719800             0.47481800       
L   3
  1      7.793276000           -0.28885700             0.02218500       
  2      2.497196000            0.33511500             0.46162500       
  3      0.805142000            0.85024800             0.61453900       
L   2
  1      0.703921000           -0.23225100             0.00018000       
  2      0.086162000            1.09367100             0.99994500       
L   1
  1      0.032199000            1.00000000             1.00000000       
D   2
  1      9.625339000            0.26559600       
  2      2.362264000            0.85215600       
D   1
  1      0.577094000            1.0000000        
D   1
  1      0.141310000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Mn
data:
MANGANESE
S   3
  1   3041.686000000            0.06374500       
  2    460.090100000            0.37674900       
  3    100.595800000            0.68124700       
L   3
  1    131.767300000           -0.11029600             0.14045400       
  2     28.569150000            0.09819000             0.55780200       
  3      8.660501000            0.95765900             0.47150100       
L   3
  1      8.569081000           -0.29171400             0.02422400       
  2      2.768178000            0.34396300             0.46866000       
  3      0.887288000            0.84519800             0.60742100       
L   2
  1      0.767443000           -0.23000400             0.00030800       
  2      0.092025000            1.09145000             0.99990700       
L   1
  1      0.033265000            1.00000000             1.00000000       
D   2
  1     11.068840000            0.26527200       
  2      2.730707000            0.85179500       
D   1
  1      0.668509000            1.0000000        
D   1
  1      0.164290000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Fe
data:
IRON
S   3
  1   3299.184000000            0.06358600       
  2    499.088600000            0.37620200       
  3    109.161400000            0.68178500       
L   3
  1    143.465200000           -0.11055200             0.14110100       
  2     31.168580000            0.09684700             0.56038700       
  3      9.483612000            0.95879700             0.46764400       
L   3
  1      9.464565000           -0.29205600             0.02376200       
  2      3.100373000            0.33752400             0.46891100       
  3      0.986493000            0.85194200             0.60831100       
L   2
  1      0.853412000           -0.22794400            -0.00042600       
  2      0.098812000            1.08828700             1.00012400       
L   1
  1      0.036442000            1.00000000             1.00000000       
D   2
  1     12.354490000            0.26861100       
  2      3.055605000            0.84927200       
D   1
  1      0.738591000            1.0000000        
D   1
  1      0.180600000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Co
data:
COBALT
S   3
  1   3564.762000000            0.06348700       
  2    539.390800000            0.37581800       
  3    118.044900000            0.68212200       
L   3
  1    155.438200000           -0.11098700             0.14206400       
  2     33.815610000            0.09676700             0.56344400       
  3     10.333230000            0.95899200             0.46302400       
L   3
  1     10.381520000           -0.29226200             0.02631300       
  2      3.382714000            0.34325100             0.47691700       
  3      1.076954000            0.84696300             0.59915400       
L   2
  1      0.909015000           -0.21746000             0.00022800       
  2      0.105041000            1.08499800             0.99993400       
L   1
  1      0.037257000            1.00000000             1.00000000       
D   2
  1     13.740700000            0.27095500       
  2      3.408983000            0.84734200       
D   1
  1      0.818641000            1.0000000        
D   1
  1      0.199850000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Ni
data:
NICKEL
S   3
  1   3848.005000000            0.06326600       
  2    582.030700000            0.37517100       
  3    127.367400000            0.68282400       
L   3
  1    168.289600000           -0.11111500             0.14249000       
  2     36.656330000            0.09532400             0.56554700       
  3     11.232120000            0.96016100             0.45999300       
L   3
  1     11.358770000           -0.29206000             0.02613800       
  2      3.738846000            0.33754100             0.47659800       
  3      1.182463000            0.85253300             0.60038000       
L   2
  1      0.988904000           -0.21368700             0.00029400       
  2      0.111025000            1.08193300             0.99991700       
L   1
  1      0.039258000            1.00000000             1.00000000       
D   2
  1     15.220690000            0.27260600       
  2      3.786020000            0.84592800       
D   1
  1      0.904557000            1.0000000        
D   1
  1      0.220560000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Cu
data:
COPPER
S   3
  1   4134.302000000            0.06318800       
  2    625.491200000            0.37484500       
  3    136.955600000            0.68310000       
L   3
  1    181.496000000           -0.11132000             0.14308400       
  2     39.574310000            0.09448700             0.56775600       
  3     12.162460000            0.96087900             0.45671400       
L   3
  1     12.351110000           -0.29222300             0.02772700       
  2      4.049651000            0.34299100             0.48352400       
  3      1.279225000            0.84794600             0.59297800       
L   2
  1      1.049804000           -0.20650800             0.00013900       
  2      0.116933000            1.07927300             0.99996100       
L   1
  1      0.000751000            1.00000000             1.00000000       
D   2
  1     16.759380000            0.27411200       
  2      4.178977000            0.84462500       
D   1
  1      0.994327000            1.0000000        
D   1
  1      0.242260000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Zn
data:
ZINC
S   3
  1   4432.288000000            0.06309300       
  2    670.660100000            0.37450400       
  3    146.902400000            0.68341600       
L   3
  1    195.004200000           -0.11162800             0.14380600       
  2     42.568890000            0.09433600             0.57000200       
  3     13.121430000            0.96110000             0.45331200       
L   3
  1     13.402310000           -0.29178100             0.02870500       
  2      4.399906000            0.34261400             0.48625200       
  3      1.385148000            0.84828400             0.59023500       
L   2
  1      1.121558000           -0.20237100             0.00034400       
  2      0.122944000            1.07703500             0.99990500       
L   1
  1      0.042193000            1.00000000             1.00000000       
D   2
  1     18.368200000            0.27538600       
  2      4.591304000            0.84347700       
D   1
  1      1.090203000            1.0000000        
D   1
  1      0.265690000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Ti
data:
TITANIUM
S   3
  1   2335.020000000            0.06421700       
  2    353.044100000            0.37841200       
  3     77.058450000            0.67968100       
L   3
  1     99.573870000           -0.10947200             0.13729700       
  2     21.546710000            0.10194300             0.54587500       
  3      6.413965000            0.95462200             0.48906800       
L   3
  1      6.238279000           -0.28613700             0.01923700       
  2      1.996108000            0.32182800             0.44044200       
  3      0.646490000            0.85955100             0.63562000       
L   2
  1      0.573285000           -0.24245000             0.00029200       
  2      0.073119000            1.10007500             0.99990700       
L   1
  1      0.026538000            1.00000000             1.00000000       
D   2
  1      7.083666000            0.26292100       
  2      1.709634000            0.85577200       
D   1
  1      0.414123000            1.0000000        
D   1
  1      0.100130000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: V
data:
VANADIUM
S   3
  1   2563.877000000            0.06394800       
  2    387.534000000            0.37759400       
  3     84.598230000            0.68054200       
L   3
  1    109.793800000           -0.10983600             0.13842100       
  2     23.769210000            0.10070700             0.55048900       
  3      7.122961000            0.95563300             0.48241700       
L   3
  1      6.981204000           -0.28845900             0.02182100       
  2      2.219839000            0.33643600             0.45676200       
  3      0.719803000            0.84819000             0.61867500       
L   2
  1      0.631262000           -0.23649000             0.00019000       
  2      0.080062000            1.09772100             0.99994000       
L   1
  1      0.028865000            1.00000000             1.00000000       
D   2
  1      8.342917000            0.26406200       
  2      2.032944000            0.85396600       
D   1
  1      0.495712000            1.0000000        
D   1
  1      0.120830000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Zn
data:
ZINC
S   3
  1   4432.288000000            0.06309300       
  2    670.660100000            0.37450400       
  3    146.902400000            0.68341600       
L   3
  1    195.004200000           -0.11162800             0.14380600       
  2     42.568890000            0.09433600             0.57000200       
  3     13.121430000            0.96110000             0.45331200       
L   3
  1     13.402310000           -0.29178100             0.02870500       
  2      4.399906000            0.34261400             0.48625200       
  3      1.385148000            0.84828400             0.59023500       
L   2
  1      1.121558000           -0.20237100             0.00034400       
  2      0.122944000            1.07703500             0.99990500       
L   1
  1      0.042193000            1.00000000             1.00000000       
D   2
  1     18.368200000            0.27538600       
  2      4.591304000            0.84347700       
D   1
  1      1.090203000            1.0000000        
D   1
  1      0.265690000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Cu
data:
COPPER
S   3
  1   4134.302000000            0.06318800       
  2    625.491200000            0.37484500       
  3    136.955600000            0.68310000       
L   3
  1    181.496000000           -0.11132000             0.14308400       
  2     39.574310000            0.09448700             0.56775600       
  3     12.162460000            0.96087900             0.45671400       
L   3
  1     12.351110000           -0.29222300             0.02772700       
  2      4.049651000            0.34299100             0.48352400       
  3      1.279225000            0.84794600             0.59297800       
L   2
  1      1.049804000           -0.20650800             0.00013900       
  2      0.116933000            1.07927300             0.99996100       
L   1
  1      0.000751000            1.00000000             1.00000000       
D   2
  1     16.759380000            0.27411200       
  2      4.178977000            0.84462500       
D   1
  1      0.994327000            1.0000000        
D   1
  1      0.242260000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Co
data:
COBALT
S   3
  1   3564.762000000            0.06348700       
  2    539.390800000            0.37581800       
  3    118.044900000            0.68212200       
L   3
  1    155.438200000           -0.11098700             0.14206400       
  2     33.815610000            0.09676700             0.56344400       
  3     10.333230000            0.95899200             0.46302400       
L   3
  1     10.381520000           -0.29226200             0.02631300       
  2      3.382714000            0.34325100             0.47691700       
  3      1.076954000            0.84696300             0.59915400       
L   2
  1      0.909015000           -0.21746000             0.00022800       
  2      0.105041000            1.08499800             0.99993400       
L   1
  1      0.037257000            1.00000000             1.00000000       
D   2
  1     13.740700000            0.27095500       
  2      3.408983000            0.84734200       
D   1
  1      0.818641000            1.0000000        
D   1
  1      0.199850000            1.0000000        


name: s3-21G
description: Spin-state corrected 3-21G basis set
elt: Cr
data:
CHROMIUM
S   3
  1   2798.294000000            0.06382400       
  2    423.137000000            0.37708400       
  3     92.438860000            0.68098900       
L   3
  1    120.280600000           -0.11777900             0.13987800       
  2     26.037270000            0.10143100             0.55598300       
  3      7.844172000            0.95719800             0.47481800       
L   3
  1      7.793276000           -0.28885700             0.02218500       
  2      2.497196000            0.33511500             0.46162500       
  3      0.805142000            0.85024800             0.61453900       
L   2
  1      0.703921000           -0.23225100             0.00018000       
  2      0.086162000            1.09367100             0.99994500       
L   1
  1      0.032199000            1.00000000             1.00000000       
D   2
  1      9.625339000            0.26559600       
  2      2.362264000            0.85215600       
D   1
  1      0.577094000            1.0000000        
D   1
  1      0.141310000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Sc
data:
SCANDIUM
S   3
  1   2119.887000000            0.06442100       
  2    320.429900000            0.37916000       
  3     69.898930000            0.67896300       
L   3
  1     89.764500000           -0.10938400             0.13632800       
  2     19.385100000            0.10507000             0.54186000       
  3      5.731423000            0.95220500             0.49505500       
L   3
  1      5.491938000           -0.28521100             0.01761400       
  2      1.743742000            0.32415500             0.43364500       
  3      0.566227000            0.85659200             0.64255100       
L   2
  1      0.516802000           -0.26267800             0.00032700       
  2      0.067214000            1.10807900             0.99989300       
L   1
  1      0.025985000            1.00000000             1.00000000       
D   2
  1      5.722215000            0.26523600       
  2      1.360849000            0.85586100       
D   1
  1      0.322652000            1.0000000        
D   1
  1      0.076620000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Ti
data:
TITANIUM
S   3
  1   2335.020000000            0.06421700       
  2    353.044100000            0.37841200       
  3     77.058450000            0.67968100       
L   3
  1     99.573870000           -0.10947200             0.13729700       
  2     21.546710000            0.10194300             0.54587500       
  3      6.413965000            0.95462200             0.48906800       
L   3
  1      6.238279000           -0.28613700             0.01923700       
  2      1.996108000            0.32182800             0.44044200       
  3      0.646490000            0.85955100             0.63562000       
L   2
  1      0.573285000           -0.24245000             0.00029200       
  2      0.073119000            1.10007500             0.99990700       
L   1
  1      0.026538000            1.00000000             1.00000000       
D   2
  1      7.083666000            0.26292100       
  2      1.709634000            0.85577200       
D   1
  1      0.414123000            1.0000000        
D   1
  1      0.100130000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: V
data:
VANADIUM
S   3
  1   2563.877000000            0.06394800       
  2    387.534000000            0.37759400       
  3     84.598230000            0.68054200       
L   3
  1    109.793800000           -0.10983600             0.13842100       
  2     23.769210000            0.10070700             0.55048900       
  3      7.122961000            0.95563300             0.48241700       
L   3
  1      6.981204000           -0.28845900             0.02182100       
  2      2.219839000            0.33643600             0.45676200       
  3      0.719803000            0.84819000             0.61867500       
L   2
  1      0.631262000           -0.23649000             0.00019000       
  2      0.080062000            1.09772100             0.99994000       
L   1
  1      0.028865000            1.00000000             1.00000000       
D   2
  1      8.342917000            0.26406200       
  2      2.032944000            0.85396600       
D   1
  1      0.495712000            1.0000000        
D   1
  1      0.120830000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Cr
data:
CHROMIUM
S   3
  1   2798.294000000            0.06382400       
  2    423.137000000            0.37708400       
  3     92.438860000            0.68098900       
L   3
  1    120.280600000           -0.11777900             0.13987800       
  2     26.037270000            0.10143100             0.55598300       
  3      7.844172000            0.95719800             0.47481800       
L   3
  1      7.793276000           -0.28885700             0.02218500       
  2      2.497196000            0.33511500             0.46162500       
  3      0.805142000            0.85024800             0.61453900       
L   2
  1      0.703921000           -0.23225100             0.00018000       
  2      0.086162000            1.09367100             0.99994500       
L   1
  1      0.032199000            1.00000000             1.00000000       
D   2
  1      9.625339000            0.26559600       
  2      2.362264000            0.85215600       
D   1
  1      0.577094000            1.0000000        
D   1
  1      0.141310000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Mn
data:
MANGANESE
S   3
  1   3041.686000000            0.06374500       
  2    460.090100000            0.37674900       
  3    100.595800000            0.68124700       
L   3
  1    131.767300000           -0.11029600             0.14045400       
  2     28.569150000            0.09819000             0.55780200       
  3      8.660501000            0.95765900             0.47150100       
L   3
  1      8.569081000           -0.29171400             0.02422400       
  2      2.768178000            0.34396300             0.46866000       
  3      0.887288000            0.84519800             0.60742100       
L   2
  1      0.767443000           -0.23000400             0.00030800       
  2      0.092025000            1.09145000             0.99990700       
L   1
  1      0.033265000            1.00000000             1.00000000       
D   2
  1     11.068840000            0.26527200       
  2      2.730707000            0.85179500       
D   1
  1      0.668509000            1.0000000        
D   1
  1      0.164290000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Fe
data:
IRON
S   3
  1   3299.184000000            0.06358600       
  2    499.088600000            0.37620200       
  3    109.161400000            0.68178500       
L   3
  1    143.465200000           -0.11055200             0.14110100       
  2     31.168580000            0.09684700             0.56038700       
  3      9.483612000            0.95879700             0.46764400       
L   3
  1      9.464565000           -0.29205600             0.02376200       
  2      3.100373000            0.33752400             0.46891100       
  3      0.986493000            0.85194200             0.60831100       
L   2
  1      0.853412000           -0.22794400            -0.00042600       
  2      0.098812000            1.08828700             1.00012400       
L   1
  1      0.036442000            1.00000000             1.00000000       
D   2
  1     12.354490000            0.26861100       
  2      3.055605000            0.84927200       
D   1
  1      0.738591000            1.0000000        
D   1
  1      0.180600000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Co
data:
COBALT
S   3
  1   3564.762000000            0.06348700       
  2    539.390800000            0.37581800       
  3    118.044900000            0.68212200       
L   3
  1    155.438200000           -0.11098700             0.14206400       
  2     33.815610000            0.09676700             0.56344400       
  3     10.333230000            0.95899200             0.46302400       
L   3
  1     10.381520000           -0.29226200             0.02631300       
  2      3.382714000            0.34325100             0.47691700       
  3      1.076954000            0.84696300             0.59915400       
L   2
  1      0.909015000           -0.21746000             0.00022800       
  2      0.105041000            1.08499800             0.99993400       
L   1
  1      0.037257000            1.00000000             1.00000000       
D   2
  1     13.740700000            0.27095500       
  2      3.408983000            0.84734200       
D   1
  1      0.818641000            1.0000000        
D   1
  1      0.199850000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Ni
data:
NICKEL
S   3
  1   3848.005000000            0.06326600       
  2    582.030700000            0.37517100       
  3    127.367400000            0.68282400       
L   3
  1    168.289600000           -0.11111500             0.14249000       
  2     36.656330000            0.09532400             0.56554700       
  3     11.232120000            0.96016100             0.45999300       
L   3
  1     11.358770000           -0.29206000             0.02613800       
  2      3.738846000            0.33754100             0.47659800       
  3      1.182463000            0.85253300             0.60038000       
L   2
  1      0.988904000           -0.21368700             0.00029400       
  2      0.111025000            1.08193300             0.99991700       
L   1
  1      0.039258000            1.00000000             1.00000000       
D   2
  1     15.220690000            0.27260600       
  2      3.786020000            0.84592800       
D   1
  1      0.904557000            1.0000000        
D   1
  1      0.220560000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Cu
data:
COPPER
S   3
  1   4134.302000000            0.06318800       
  2    625.491200000            0.37484500       
  3    136.955600000            0.68310000       
L   3
  1    181.496000000           -0.11132000             0.14308400       
  2     39.574310000            0.09448700             0.56775600       
  3     12.162460000            0.96087900             0.45671400       
L   3
  1     12.351110000           -0.29222300             0.02772700       
  2      4.049651000            0.34299100             0.48352400       
  3      1.279225000            0.84794600             0.59297800       
L   2
  1      1.049804000           -0.20650800             0.00013900       
  2      0.116933000            1.07927300             0.99996100       
L   1
  1      0.000751000            1.00000000             1.00000000       
D   2
  1     16.759380000            0.27411200       
  2      4.178977000            0.84462500       
D   1
  1      0.994327000            1.0000000        
D   1
  1      0.242260000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Zn
data:
ZINC
S   3
  1   4432.288000000            0.06309300       
  2    670.660100000            0.37450400       
  3    146.902400000            0.68341600       
L   3
  1    195.004200000           -0.11162800             0.14380600       
  2     42.568890000            0.09433600             0.57000200       
  3     13.121430000            0.96110000             0.45331200       
L   3
  1     13.402310000           -0.29178100             0.02870500       
  2      4.399906000            0.34261400             0.48625200       
  3      1.385148000            0.84828400             0.59023500       
L   2
  1      1.121558000           -0.20237100             0.00034400       
  2      0.122944000            1.07703500             0.99990500       
L   1
  1      0.042193000            1.00000000             1.00000000       
D   2
  1     18.368200000            0.27538600       
  2      4.591304000            0.84347700       
D   1
  1      1.090203000            1.0000000        
D   1
  1      0.265690000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Ti
data:
TITANIUM
S   3
  1   2335.020000000            0.06421700       
  2    353.044100000            0.37841200       
  3     77.058450000            0.67968100       
L   3
  1     99.573870000           -0.10947200             0.13729700       
  2     21.546710000            0.10194300             0.54587500       
  3      6.413965000            0.95462200             0.48906800       
L   3
  1      6.238279000           -0.28613700             0.01923700       
  2      1.996108000            0.32182800             0.44044200       
  3      0.646490000            0.85955100             0.63562000       
L   2
  1      0.573285000           -0.24245000             0.00029200       
  2      0.073119000            1.10007500             0.99990700       
L   1
  1      0.026538000            1.00000000             1.00000000       
D   2
  1      7.083666000            0.26292100       
  2      1.709634000            0.85577200       
D   1
  1      0.414123000            1.0000000        
D   1
  1      0.100130000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: V
data:
VANADIUM
S   3
  1   2563.877000000            0.06394800       
  2    387.534000000            0.37759400       
  3     84.598230000            0.68054200       
L   3
  1    109.793800000           -0.10983600             0.13842100       
  2     23.769210000            0.10070700             0.55048900       
  3      7.122961000            0.95563300             0.48241700       
L   3
  1      6.981204000           -0.28845900             0.02182100       
  2      2.219839000            0.33643600             0.45676200       
  3      0.719803000            0.84819000             0.61867500       
L   2
  1      0.631262000           -0.23649000             0.00019000       
  2      0.080062000            1.09772100             0.99994000       
L   1
  1      0.028865000            1.00000000             1.00000000       
D   2
  1      8.342917000            0.26406200       
  2      2.032944000            0.85396600       
D   1
  1      0.495712000            1.0000000        
D   1
  1      0.120830000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Zn
data:
ZINC
S   3
  1   4432.288000000            0.06309300       
  2    670.660100000            0.37450400       
  3    146.902400000            0.68341600       
L   3
  1    195.004200000           -0.11162800             0.14380600       
  2     42.568890000            0.09433600             0.57000200       
  3     13.121430000            0.96110000             0.45331200       
L   3
  1     13.402310000           -0.29178100             0.02870500       
  2      4.399906000            0.34261400             0.48625200       
  3      1.385148000            0.84828400             0.59023500       
L   2
  1      1.121558000           -0.20237100             0.00034400       
  2      0.122944000            1.07703500             0.99990500       
L   1
  1      0.042193000            1.00000000             1.00000000       
D   2
  1     18.368200000            0.27538600       
  2      4.591304000            0.84347700       
D   1
  1      1.090203000            1.0000000        
D   1
  1      0.265690000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Mn
data:
MANGANESE
S   3
  1   3041.686000000            0.06374500       
  2    460.090100000            0.37674900       
  3    100.595800000            0.68124700       
L   3
  1    131.767300000           -0.11029600             0.14045400       
  2     28.569150000            0.09819000             0.55780200       
  3      8.660501000            0.95765900             0.47150100       
L   3
  1      8.569081000           -0.29171400             0.02422400       
  2      2.768178000            0.34396300             0.46866000       
  3      0.887288000            0.84519800             0.60742100       
L   2
  1      0.767443000           -0.23000400             0.00030800       
  2      0.092025000            1.09145000             0.99990700       
L   1
  1      0.033265000            1.00000000             1.00000000       
D   2
  1     11.068840000            0.26527200       
  2      2.730707000            0.85179500       
D   1
  1      0.668509000            1.0000000        
D   1
  1      0.164290000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Ni
data:
NICKEL
S   3
  1   3848.005000000            0.06326600       
  2    582.030700000            0.37517100       
  3    127.367400000            0.68282400       
L   3
  1    168.289600000           -0.11111500             0.14249000       
  2     36.656330000            0.09532400             0.56554700       
  3     11.232120000            0.96016100             0.45999300       
L   3
  1     11.358770000           -0.29206000             0.02613800       
  2      3.738846000            0.33754100             0.47659800       
  3      1.182463000            0.85253300             0.60038000       
L   2
  1      0.988904000           -0.21368700             0.00029400       
  2      0.111025000            1.08193300             0.99991700       
L   1
  1      0.039258000            1.00000000             1.00000000       
D   2
  1     15.220690000            0.27260600       
  2      3.786020000            0.84592800       
D   1
  1      0.904557000            1.0000000        
D   1
  1      0.220560000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Cr
data:
CHROMIUM
S   3
  1   2798.294000000            0.06382400       
  2    423.137000000            0.37708400       
  3     92.438860000            0.68098900       
L   3
  1    120.280600000           -0.11777900             0.13987800       
  2     26.037270000            0.10143100             0.55598300       
  3      7.844172000            0.95719800             0.47481800       
L   3
  1      7.793276000           -0.28885700             0.02218500       
  2      2.497196000            0.33511500             0.46162500       
  3      0.805142000            0.85024800             0.61453900       
L   2
  1      0.703921000           -0.23225100             0.00018000       
  2      0.086162000            1.09367100             0.99994500       
L   1
  1      0.032199000            1.00000000             1.00000000       
D   2
  1      9.625339000            0.26559600       
  2      2.362264000            0.85215600       
D   1
  1      0.577094000            1.0000000        
D   1
  1      0.141310000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Cu
data:
COPPER
S   3
  1   4134.302000000            0.06318800       
  2    625.491200000            0.37484500       
  3    136.955600000            0.68310000       
L   3
  1    181.496000000           -0.11132000             0.14308400       
  2     39.574310000            0.09448700             0.56775600       
  3     12.162460000            0.96087900             0.45671400       
L   3
  1     12.351110000           -0.29222300             0.02772700       
  2      4.049651000            0.34299100             0.48352400       
  3      1.279225000            0.84794600             0.59297800       
L   2
  1      1.049804000           -0.20650800             0.00013900       
  2      0.116933000            1.07927300             0.99996100       
L   1
  1      0.000751000            1.00000000             1.00000000       
D   2
  1     16.759380000            0.27411200       
  2      4.178977000            0.84462500       
D   1
  1      0.994327000            1.0000000        
D   1
  1      0.242260000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Fe
data:
IRON
S   3
  1   3299.184000000            0.06358600       
  2    499.088600000            0.37620200       
  3    109.161400000            0.68178500       
L   3
  1    143.465200000           -0.11055200             0.14110100       
  2     31.168580000            0.09684700             0.56038700       
  3      9.483612000            0.95879700             0.46764400       
L   3
  1      9.464565000           -0.29205600             0.02376200       
  2      3.100373000            0.33752400             0.46891100       
  3      0.986493000            0.85194200             0.60831100       
L   2
  1      0.853412000           -0.22794400            -0.00042600       
  2      0.098812000            1.08828700             1.00012400       
L   1
  1      0.036442000            1.00000000             1.00000000       
D   2
  1     12.354490000            0.26861100       
  2      3.055605000            0.84927200       
D   1
  1      0.738591000            1.0000000        
D   1
  1      0.180600000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s3-21G*
description: Spin-state corrected 3-21G* basis set
elt: Co
data:
COBALT
S   3
  1   3564.762000000            0.06348700       
  2    539.390800000            0.37581800       
  3    118.044900000            0.68212200       
L   3
  1    155.438200000           -0.11098700             0.14206400       
  2     33.815610000            0.09676700             0.56344400       
  3     10.333230000            0.95899200             0.46302400       
L   3
  1     10.381520000           -0.29226200             0.02631300       
  2      3.382714000            0.34325100             0.47691700       
  3      1.076954000            0.84696300             0.59915400       
L   2
  1      0.909015000           -0.21746000             0.00022800       
  2      0.105041000            1.08499800             0.99993400       
L   1
  1      0.037257000            1.00000000             1.00000000       
D   2
  1     13.740700000            0.27095500       
  2      3.408983000            0.84734200       
D   1
  1      0.818641000            1.0000000        
D   1
  1      0.199850000            1.0000000        
F   1
  1      0.800000000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     28.191470000            0.09098881       
  2      7.523584000            0.39582080       
  3      2.271228000            0.69471540       
D   1
  1      0.611603000            1.0000000        
D   1
  1      0.173930000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Sc
data:
SCANDIUM
S   6
  1  39088.980000000            0.00180326       
  2   5869.792000000            0.01380769       
  3   1336.910000000            0.06800396       
  4    376.603100000            0.23470990       
  5    120.467900000            0.48156900       
  6     40.980320000            0.34456520       
L   6
  1    786.285200000            0.00245186             0.00403953       
  2    186.887000000            0.03259579             0.03122570       
  3     60.009350000            0.12382420             0.13498330       
  4     22.258830000           -0.04359890             0.34247930       
  5      8.885149000           -0.61771810             0.46231130       
  6      3.609211000           -0.44328230             0.21775240       
L   6
  1     29.843550000           -0.00258630            -0.00609665       
  2      9.542383000            0.07188424            -0.02628884       
  3      4.056790000            0.25032600             0.05091001       
  4      1.704703000           -0.29910030             0.37980970       
  5      0.706234000           -0.74468180             0.51708830       
  6      0.279536000           -0.17997760             0.18297720       
L   3
  1      1.065609000            0.06482978            -0.29384400       
  2      0.425933000            0.32537560             0.09235323       
  3      0.076320000           -1.17080600             0.98479300       
L   1
  1      0.029594000            1.00000000             1.00000000       
D   3
  1     11.147010000            0.08747672       
  2      2.821043000            0.37956350       
  3      0.819620000            0.71803930       
D   1
  1      0.221468000            1.0000000        
D   1
  1      0.060200000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     13.690850000            0.08589418       
  2      3.513154000            0.37846710       
  3      1.040434000            0.71612390       
D   1
  1      0.286962000            1.0000000        
D   1
  1      0.079310000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     16.050250000            0.08599899       
  2      4.160063000            0.38029960       
  3      1.243265000            0.71276590       
D   1
  1      0.344277000            1.0000000        
D   1
  1      0.096060000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     18.419300000            0.08650816       
  2      4.812661000            0.38266990       
  3      1.446447000            0.70937720       
D   1
  1      0.400413000            1.0000000        
D   1
  1      0.112480000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     20.943550000            0.08672702       
  2      5.510486000            0.38418830       
  3      1.665038000            0.70690710       
D   1
  1      0.461733000            1.0000000        
D   1
  1      0.130500000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     23.149940000            0.08876935       
  2      6.122368000            0.38963190       
  3      1.846601000            0.70148160       
D   1
  1      0.504361000            1.0000000        
D   1
  1      0.142750000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     25.593060000            0.09004748       
  2      6.800990000            0.39317030       
  3      2.051647000            0.69768440       
D   1
  1      0.555671000            1.0000000        
D   1
  1      0.157650000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     28.191470000            0.09098881       
  2      7.523584000            0.39582080       
  3      2.271228000            0.69471540       
D   1
  1      0.611603000            1.0000000        
D   1
  1      0.173930000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     30.853410000            0.09199905       
  2      8.264985000            0.39850210       
  3      2.495332000            0.69178970       
D   1
  1      0.667658000            1.0000000        
D   1
  1      0.190210000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Zn
data:
ZINC
S   6
  1  82400.940000000            0.00174333       
  2  12372.550000000            0.01335966       
  3   2818.351000000            0.06594365       
  4    794.571700000            0.22941510       
  5    254.723200000            0.47854530       
  6     87.138800000            0.35377530       
L   6
  1   1732.569000000            0.00236146             0.00396313       
  2    412.714900000            0.03150177             0.03113411       
  3    133.678000000            0.12727740             0.13639310       
  4     50.385850000           -0.02145928             0.35012660       
  5     20.583580000           -0.61976520             0.46231790       
  6      8.505940000           -0.45901800             0.20049950       
L   6
  1     69.364920000           -0.00444010            -0.00768926       
  2     23.620820000            0.07505253            -0.02997982       
  3     10.184710000            0.25331110             0.07082411       
  4      4.334082000           -0.28818970             0.40461410       
  5      1.810918000           -0.72670520             0.48823250       
  6      0.714841000           -0.21334390             0.17519700       
L   3
  1      2.823842000            0.04898543            -0.15867630       
  2      1.039543000            0.25927930             0.08379327       
  3      0.143264000           -1.11571100             0.98405470       
L   1
  1      0.049296000            1.00000000             1.00000000       
D   3
  1     33.707640000            0.09262648       
  2      9.061106000            0.40029800       
  3      2.738383000            0.68966080       
D   1
  1      0.730294000            1.0000000        
D   1
  1      0.208510000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     13.690850000            0.08589418       
  2      3.513154000            0.37846710       
  3      1.040434000            0.71612390       
D   1
  1      0.286962000            1.0000000        
D   1
  1      0.079310000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     16.050250000            0.08599899       
  2      4.160063000            0.38029960       
  3      1.243265000            0.71276590       
D   1
  1      0.344277000            1.0000000        
D   1
  1      0.096060000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Zn
data:
ZINC
S   6
  1  82400.940000000            0.00174333       
  2  12372.550000000            0.01335966       
  3   2818.351000000            0.06594365       
  4    794.571700000            0.22941510       
  5    254.723200000            0.47854530       
  6     87.138800000            0.35377530       
L   6
  1   1732.569000000            0.00236146             0.00396313       
  2    412.714900000            0.03150177             0.03113411       
  3    133.678000000            0.12727740             0.13639310       
  4     50.385850000           -0.02145928             0.35012660       
  5     20.583580000           -0.61976520             0.46231790       
  6      8.505940000           -0.45901800             0.20049950       
L   6
  1     69.364920000           -0.00444010            -0.00768926       
  2     23.620820000            0.07505253            -0.02997982       
  3     10.184710000            0.25331110             0.07082411       
  4      4.334082000           -0.28818970             0.40461410       
  5      1.810918000           -0.72670520             0.48823250       
  6      0.714841000           -0.21334390             0.17519700       
L   3
  1      2.823842000            0.04898543            -0.15867630       
  2      1.039543000            0.25927930             0.08379327       
  3      0.143264000           -1.11571100             0.98405470       
L   1
  1      0.049296000            1.00000000             1.00000000       
D   3
  1     33.707640000            0.09262648       
  2      9.061106000            0.40029800       
  3      2.738383000            0.68966080       
D   1
  1      0.730294000            1.0000000        
D   1
  1      0.208510000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     18.419300000            0.08650816       
  2      4.812661000            0.38266990       
  3      1.446447000            0.70937720       
D   1
  1      0.400413000            1.0000000        
D   1
  1      0.112480000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     30.853410000            0.09199905       
  2      8.264985000            0.39850210       
  3      2.495332000            0.69178970       
D   1
  1      0.667658000            1.0000000        
D   1
  1      0.190210000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     23.149940000            0.08876935       
  2      6.122368000            0.38963190       
  3      1.846601000            0.70148160       
D   1
  1      0.504361000            1.0000000        
D   1
  1      0.142750000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     20.943550000            0.08672702       
  2      5.510486000            0.38418830       
  3      1.665038000            0.70690710       
D   1
  1      0.461733000            1.0000000        
D   1
  1      0.130500000            1.0000000        


name: s6-31G
description: Spin-state corrected 6-31G basis set
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     25.593060000            0.09004748       
  2      6.800990000            0.39317030       
  3      2.051647000            0.69768440       
D   1
  1      0.555671000            1.0000000        
D   1
  1      0.157650000            1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     25.593060000            0.09004748       
  2      6.800990000            0.39317030       
  3      2.051647000            0.69768440       
D   1
  1      0.555671000            1.0000000        
D   1
  1      0.157650000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     18.419300000            0.08650816       
  2      4.812661000            0.38266990       
  3      1.446447000            0.70937720       
D   1
  1      0.400413000            1.0000000        
D   1
  1      0.112480000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     30.853410000            0.09199905       
  2      8.264985000            0.39850210       
  3      2.495332000            0.69178970       
D   1
  1      0.667658000            1.0000000        
D   1
  1      0.190210000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     23.149940000            0.08876935       
  2      6.122368000            0.38963190       
  3      1.846601000            0.70148160       
D   1
  1      0.504361000            1.0000000        
D   1
  1      0.142750000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     20.943550000            0.08672702       
  2      5.510486000            0.38418830       
  3      1.665038000            0.70690710       
D   1
  1      0.461733000            1.0000000        
D   1
  1      0.130500000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     28.191470000            0.09098881       
  2      7.523584000            0.39582080       
  3      2.271228000            0.69471540       
D   1
  1      0.611603000            1.0000000        
D   1
  1      0.173930000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Sc
data:
SCANDIUM
S   6
  1  39088.980000000            0.00180326       
  2   5869.792000000            0.01380769       
  3   1336.910000000            0.06800396       
  4    376.603100000            0.23470990       
  5    120.467900000            0.48156900       
  6     40.980320000            0.34456520       
L   6
  1    786.285200000            0.00245186             0.00403953       
  2    186.887000000            0.03259579             0.03122570       
  3     60.009350000            0.12382420             0.13498330       
  4     22.258830000           -0.04359890             0.34247930       
  5      8.885149000           -0.61771810             0.46231130       
  6      3.609211000           -0.44328230             0.21775240       
L   6
  1     29.843550000           -0.00258630            -0.00609665       
  2      9.542383000            0.07188424            -0.02628884       
  3      4.056790000            0.25032600             0.05091001       
  4      1.704703000           -0.29910030             0.37980970       
  5      0.706234000           -0.74468180             0.51708830       
  6      0.279536000           -0.17997760             0.18297720       
L   3
  1      1.065609000            0.06482978            -0.29384400       
  2      0.425933000            0.32537560             0.09235323       
  3      0.076320000           -1.17080600             0.98479300       
L   1
  1      0.029594000            1.00000000             1.00000000       
D   3
  1     11.147010000            0.08747672       
  2      2.821043000            0.37956350       
  3      0.819620000            0.71803930       
D   1
  1      0.221468000            1.0000000        
D   1
  1      0.060200000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     13.690850000            0.08589418       
  2      3.513154000            0.37846710       
  3      1.040434000            0.71612390       
D   1
  1      0.286962000            1.0000000        
D   1
  1      0.079310000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     16.050250000            0.08599899       
  2      4.160063000            0.38029960       
  3      1.243265000            0.71276590       
D   1
  1      0.344277000            1.0000000        
D   1
  1      0.096060000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Cr
data:
CHROMIUM
S   6
  1  51789.810000000            0.00177618       
  2   7776.849000000            0.01360476       
  3   1771.385000000            0.06706925       
  4    499.158800000            0.23231040       
  5    159.798200000            0.48024100       
  6     54.470210000            0.34876530       
L   6
  1   1064.328000000            0.00239967             0.00398700       
  2    253.213800000            0.03194886             0.03104662       
  3     81.609240000            0.12508680             0.13505180       
  4     30.481930000           -0.03221866             0.34488650       
  5     12.294390000           -0.61722840             0.46285710       
  6      5.037722000           -0.45259360             0.21104260       
L   6
  1     41.562910000           -0.00345422            -0.00672250       
  2     13.676270000            0.07218428            -0.02806471       
  3      5.844390000            0.25448200             0.05820028       
  4      2.471609000           -0.29345340             0.39169880       
  5      1.028308000           -0.73854550             0.50478230       
  6      0.407250000           -0.19471570             0.17902900       
L   3
  1      1.571464000            0.05892219            -0.19301000       
  2      0.605580000            0.29760550             0.09605620       
  3      0.098561000           -1.14750600             0.98176090       
L   1
  1      0.036459000            1.00000000             1.00000000       
D   3
  1     18.419300000            0.08650816       
  2      4.812661000            0.38266990       
  3      1.446447000            0.70937720       
D   1
  1      0.400413000            1.0000000        
D   1
  1      0.112480000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Mn
data:
MANGANESE
S   6
  1  56347.140000000            0.00177158       
  2   8460.943000000            0.01357081       
  3   1927.325000000            0.06690605       
  4    543.234300000            0.23185410       
  5    173.990500000            0.47990460       
  6     59.360050000            0.34957370       
L   6
  1   1165.412000000            0.00238875             0.00397732       
  2    277.327600000            0.03181708             0.03103112       
  3     89.472780000            0.12546700             0.13518940       
  4     33.482560000           -0.02955431             0.34573870       
  5     13.540370000           -0.61751600             0.46292050       
  6      5.557972000           -0.45444580             0.20905920       
L   6
  1     45.835320000           -0.00366586            -0.00688758       
  2     15.187770000            0.07231971            -0.02846816       
  3      6.500710000            0.25444860             0.06031832       
  4      2.751583000           -0.29103800             0.39389610       
  5      1.145404000           -0.73598600             0.50137690       
  6      0.453687000           -0.19976170             0.17922640       
L   3
  1      1.757999000            0.05628572            -0.50350240       
  2      0.667022000            0.28974910             0.23450110       
  3      0.105129000           -1.14065300             0.91412570       
L   1
  1      0.038418000            1.00000000             1.00000000       
D   3
  1     20.943550000            0.08672702       
  2      5.510486000            0.38418830       
  3      1.665038000            0.70690710       
D   1
  1      0.461733000            1.0000000        
D   1
  1      0.130500000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Fe
data:
IRON
S   6
  1  61132.620000000            0.00176611       
  2   9179.342000000            0.01353038       
  3   2090.857000000            0.06673128       
  4    589.247900000            0.23148230       
  5    188.754300000            0.47970580       
  6     64.446290000            0.35019760       
L   6
  1   1259.980000000            0.00243801             0.00402802       
  2    299.876100000            0.03224048             0.03144647       
  3     96.849170000            0.12657240             0.13683170       
  4     36.310200000           -0.03139902             0.34872360       
  5     14.729960000           -0.62075930             0.46179310       
  6      6.066075000           -0.45029140             0.20430580       
L   6
  1     50.434850000           -0.00387326            -0.00701713       
  2     16.839290000            0.07196598            -0.02877660       
  3      7.192086000            0.25565910             0.06181383       
  4      3.053420000           -0.28828370             0.39549460       
  5      1.273643000           -0.73428220             0.49890590       
  6      0.504091000           -0.20493530             0.17912510       
L   3
  1      1.950316000            0.05694869            -0.45937960       
  2      0.736721000            0.28829150             0.28521390       
  3      0.114177000           -1.13815900             0.90764850       
L   1
  1      0.041148000            1.00000000             1.00000000       
D   3
  1     23.149940000            0.08876935       
  2      6.122368000            0.38963190       
  3      1.846601000            0.70148160       
D   1
  1      0.504361000            1.0000000        
D   1
  1      0.142750000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Co
data:
COBALT
S   6
  1  66148.990000000            0.00175979       
  2   9933.077000000            0.01348162       
  3   2262.816000000            0.06649342       
  4    637.915400000            0.23079390       
  5    204.412200000            0.47929190       
  6     69.825380000            0.35140970       
L   6
  1   1378.841000000            0.00237628             0.00397149       
  2    328.269400000            0.03167450             0.03108174       
  3    106.094600000            0.12628880             0.13574390       
  4     39.832750000           -0.02584552             0.34768270       
  5     16.186220000           -0.61834910             0.46263400       
  6      6.667788000           -0.45670080             0.20516320       
L   6
  1     54.523550000           -0.00399300            -0.00729077       
  2     18.297830000            0.07409663            -0.02926027       
  3      7.867348000            0.25420000             0.06564150       
  4      3.340534000           -0.29216570             0.40006520       
  5      1.393756000           -0.73187030             0.49502360       
  6      0.551326000           -0.20407840             0.17582400       
L   3
  1      2.151947000            0.05379843            -0.21654960       
  2      0.811063000            0.27599710             0.12404880       
  3      0.121017000           -1.12969200             0.97240640       
L   1
  1      0.043037000            1.00000000             1.00000000       
D   3
  1     25.593060000            0.09004748       
  2      6.800990000            0.39317030       
  3      2.051647000            0.69768440       
D   1
  1      0.555671000            1.0000000        
D   1
  1      0.157650000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Ni
data:
NICKEL
S   6
  1  71396.350000000            0.00175300       
  2  10720.840000000            0.01343122       
  3   2442.129000000            0.06627041       
  4    688.426500000            0.23025080       
  5    220.615300000            0.47901860       
  6     75.393730000            0.35234440       
L   6
  1   1492.532000000            0.00237071             0.00396755       
  2    355.401300000            0.03160566             0.03109479       
  3    114.953400000            0.12663350             0.13595170       
  4     43.220430000           -0.02417037             0.34851360       
  5     17.597100000           -0.61877750             0.46254980       
  6      7.257765000           -0.45767700             0.20351860       
L   6
  1     59.352610000           -0.00416200            -0.00742145       
  2     20.021810000            0.07425111            -0.02953410       
  3      8.614561000            0.25413600             0.06731852       
  4      3.660531000           -0.29034770             0.40166600       
  5      1.528111000           -0.73021210             0.49266230       
  6      0.604057000           -0.20760570             0.17568930       
L   3
  1      2.379276000            0.05157888            -0.18876630       
  2      0.885839000            0.27076110             0.10151990       
  3      0.128529000           -1.12477000             0.97909060       
L   1
  1      0.045195000            1.00000000             1.00000000       
D   3
  1     28.191470000            0.09098881       
  2      7.523584000            0.39582080       
  3      2.271228000            0.69471540       
D   1
  1      0.611603000            1.0000000        
D   1
  1      0.173930000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Cu
data:
COPPER
S   6
  1  76794.380000000            0.00174816       
  2  11530.700000000            0.01339602       
  3   2626.575000000            0.06610885       
  4    740.490300000            0.22982650       
  5    237.352800000            0.47876750       
  6     81.158180000            0.35307390       
L   6
  1   1610.814000000            0.00236405             0.00396331       
  2    383.636700000            0.03153635             0.03110223       
  3    124.173300000            0.12694520             0.13613500       
  4     46.746780000           -0.02262840             0.34929140       
  5     19.065690000           -0.61920800             0.46247800       
  6      7.871567000           -0.45853930             0.20201020       
L   6
  1     64.457320000           -0.00433108            -0.00752373       
  2     21.852120000            0.07412307            -0.02975687       
  3      9.405343000            0.25421080             0.06849654       
  4      3.999168000           -0.28748430             0.40271410       
  5      1.670297000           -0.72914360             0.49084900       
  6      0.659627000           -0.21139510             0.17592680       
L   3
  1      2.600088000            0.05027577            -0.17029110       
  2      0.963094000            0.26500400             0.09310133       
  3      0.136161000           -1.12015500             0.98143360       
L   1
  1      0.047332000            1.00000000             1.00000000       
D   3
  1     30.853410000            0.09199905       
  2      8.264985000            0.39850210       
  3      2.495332000            0.69178970       
D   1
  1      0.667658000            1.0000000        
D   1
  1      0.190210000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Zn
data:
ZINC
S   6
  1  82400.940000000            0.00174333       
  2  12372.550000000            0.01335966       
  3   2818.351000000            0.06594365       
  4    794.571700000            0.22941510       
  5    254.723200000            0.47854530       
  6     87.138800000            0.35377530       
L   6
  1   1732.569000000            0.00236146             0.00396313       
  2    412.714900000            0.03150177             0.03113411       
  3    133.678000000            0.12727740             0.13639310       
  4     50.385850000           -0.02145928             0.35012660       
  5     20.583580000           -0.61976520             0.46231790       
  6      8.505940000           -0.45901800             0.20049950       
L   6
  1     69.364920000           -0.00444010            -0.00768926       
  2     23.620820000            0.07505253            -0.02997982       
  3     10.184710000            0.25331110             0.07082411       
  4      4.334082000           -0.28818970             0.40461410       
  5      1.810918000           -0.72670520             0.48823250       
  6      0.714841000           -0.21334390             0.17519700       
L   3
  1      2.823842000            0.04898543            -0.15867630       
  2      1.039543000            0.25927930             0.08379327       
  3      0.143264000           -1.11571100             0.98405470       
L   1
  1      0.049296000            1.00000000             1.00000000       
D   3
  1     33.707640000            0.09262648       
  2      9.061106000            0.40029800       
  3      2.738383000            0.68966080       
D   1
  1      0.730294000            1.0000000        
D   1
  1      0.208510000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Ti
data:
TITANIUM
S   6
  1  43152.950000000            0.00179187       
  2   6479.571000000            0.01372392       
  3   1475.675000000            0.06762830       
  4    415.699100000            0.23376420       
  5    133.000600000            0.48106960       
  6     45.272220000            0.34622800       
L   6
  1    874.682600000            0.00243101             0.00401768       
  2    207.978500000            0.03233027             0.03113966       
  3     66.879180000            0.12425200             0.13490770       
  4     24.873470000           -0.03903905             0.34316720       
  5      9.968441000           -0.61717890             0.46257600       
  6      4.063826000           -0.44730970             0.21546030       
L   6
  1     33.643630000           -0.00294036            -0.00631162       
  2     10.875650000            0.07163103            -0.02697638       
  3      4.628225000            0.25289150             0.05316847       
  4      1.950126000           -0.29664010             0.38455490       
  5      0.809452000           -0.74322150             0.51276620       
  6      0.320474000           -0.18535200             0.18111350       
L   3
  1      1.224148000            0.06351465            -0.21120700       
  2      0.484263000            0.31514040             0.07771998       
  3      0.084096000           -1.16259500             0.98982140       
L   1
  1      0.032036000            1.00000000             1.00000000       
D   3
  1     13.690850000            0.08589418       
  2      3.513154000            0.37846710       
  3      1.040434000            0.71612390       
D   1
  1      0.286962000            1.0000000        
D   1
  1      0.079310000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: V
data:
VANADIUM
S   6
  1  47354.330000000            0.00178451       
  2   7110.787000000            0.01366754       
  3   1619.591000000            0.06736122       
  4    456.337900000            0.23305520       
  5    146.060600000            0.48063160       
  6     49.757910000            0.34748020       
L   6
  1    968.148400000            0.00241060             0.00399500       
  2    230.282100000            0.03207243             0.03104061       
  3     74.145910000            0.12459420             0.13477470       
  4     27.641070000           -0.03482177             0.34372790       
  5     11.114750000           -0.61673740             0.46287590       
  6      4.543113000           -0.45098440             0.21355470       
L   6
  1     37.640500000           -0.00323320            -0.00649406       
  2     12.282380000            0.07130744            -0.02753453       
  3      5.233366000            0.25438200             0.05516284       
  4      2.208950000           -0.29338870             0.38796720       
  5      0.917880000           -0.74156950             0.50902580       
  6      0.363412000           -0.19094100             0.18038400       
L   3
  1      1.392781000            0.06139703            -0.18912650       
  2      0.543913000            0.30611300             0.08005453       
  3      0.091476000           -1.15489000             0.98773990       
L   1
  1      0.034312000            1.00000000             1.00000000       
D   3
  1     16.050250000            0.08599899       
  2      4.160063000            0.38029960       
  3      1.243265000            0.71276590       
D   1
  1      0.344277000            1.0000000        
D   1
  1      0.096060000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: s6-31G*
description: Spin-state corrected 6-31G* basis set
elt: Zn
data:
ZINC
S   6
  1  82400.940000000            0.00174333       
  2  12372.550000000            0.01335966       
  3   2818.351000000            0.06594365       
  4    794.571700000            0.22941510       
  5    254.723200000            0.47854530       
  6     87.138800000            0.35377530       
L   6
  1   1732.569000000            0.00236146             0.00396313       
  2    412.714900000            0.03150177             0.03113411       
  3    133.678000000            0.12727740             0.13639310       
  4     50.385850000           -0.02145928             0.35012660       
  5     20.583580000           -0.61976520             0.46231790       
  6      8.505940000           -0.45901800             0.20049950       
L   6
  1     69.364920000           -0.00444010            -0.00768926       
  2     23.620820000            0.07505253            -0.02997982       
  3     10.184710000            0.25331110             0.07082411       
  4      4.334082000           -0.28818970             0.40461410       
  5      1.810918000           -0.72670520             0.48823250       
  6      0.714841000           -0.21334390             0.17519700       
L   3
  1      2.823842000            0.04898543            -0.15867630       
  2      1.039543000            0.25927930             0.08379327       
  3      0.143264000           -1.11571100             0.98405470       
L   1
  1      0.049296000            1.00000000             1.00000000       
D   3
  1     33.707640000            0.09262648       
  2      9.061106000            0.40029800       
  3      2.738383000            0.68966080       
D   1
  1      0.730294000            1.0000000        
D   1
  1      0.208510000            1.0000000        
F   1
  1      0.80000000             1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: He
data:
HELIUM
S   1
  1      1.9850407436E+03       1.0000000        
S   1
  1      1.0160381305E+03       1.0000000        
S   1
  1      4.4689350591E+02       1.0000000        
S   1
  1      1.8608329347E+02       1.0000000        
S   1
  1      7.7386842371E+01       1.0000000        
S   1
  1      3.2064002809E+01       1.0000000        
S   1
  1      1.3209845940E+01       1.0000000        
S   1
  1      5.4594511546E+00       1.0000000        
S   1
  1      2.2575191754E+00       1.0000000        
S   1
  1      9.2805489445E-01       1.0000000        
S   1
  1      3.8475195738E-01       1.0000000        
S   1
  1      1.5920018604E-01       1.0000000        
S   1
  1      6.8678400297E-02       1.0000000        
S   1
  1      3.5049166152E-02       1.0000000        
P   1
  1      6.4291142478E+00       1.0000000        
P   1
  1      3.7097381621E+00       1.0000000        
P   1
  1      1.8379856508E+00       1.0000000        
P   1
  1      8.9669828380E-01       1.0000000        
P   1
  1      4.4670425550E-01       1.0000000        
P   1
  1      2.5873130539E-01       1.0000000        
D   1
  1      2.1752040340E+00       1.0000000        
F   1
  1      2.8183829313E+00       1.0000000        
G   1
  1      3.3496543916E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: H
data:
HYDROGEN
S   1
  1      1.9850407436E+03       1.0000000        
S   1
  1      1.0160381305E+03       1.0000000        
S   1
  1      4.4689350591E+02       1.0000000        
S   1
  1      1.8608329347E+02       1.0000000        
S   1
  1      7.7386842371E+01       1.0000000        
S   1
  1      3.2064002809E+01       1.0000000        
S   1
  1      1.3209845940E+01       1.0000000        
S   1
  1      5.4594511546E+00       1.0000000        
S   1
  1      2.2575191754E+00       1.0000000        
S   1
  1      9.2805489445E-01       1.0000000        
S   1
  1      3.8475195738E-01       1.0000000        
S   1
  1      1.5920018604E-01       1.0000000        
S   1
  1      6.8678400297E-02       1.0000000        
S   1
  1      3.5049166152E-02       1.0000000        
P   1
  1      6.4291142478E+00       1.0000000        
P   1
  1      3.7097381621E+00       1.0000000        
P   1
  1      1.8379856508E+00       1.0000000        
P   1
  1      8.9669828380E-01       1.0000000        
P   1
  1      4.4670425550E-01       1.0000000        
P   1
  1      2.5873130539E-01       1.0000000        
D   1
  1      2.1752040340E+00       1.0000000        
F   1
  1      2.8183829313E+00       1.0000000        
G   1
  1      3.3496543916E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Be
data:
BERYLLIUM
S   1
  1      4.8704863236E+03       1.0000000        
S   1
  1      2.5247465514E+03       1.0000000        
S   1
  1      1.0926827622E+03       1.0000000        
S   1
  1      4.5930571525E+02       1.0000000        
S   1
  1      1.9031632816E+02       1.0000000        
S   1
  1      7.9055079346E+01       1.0000000        
S   1
  1      3.2496185482E+01       1.0000000        
S   1
  1      1.3463154130E+01       1.0000000        
S   1
  1      5.5318236845E+00       1.0000000        
S   1
  1      2.2870181148E+00       1.0000000        
S   1
  1      9.3634760814E-01       1.0000000        
S   1
  1      3.8644902862E-01       1.0000000        
S   1
  1      1.5884319079E-01       1.0000000        
S   1
  1      6.4899858224E-02       1.0000000        
S   1
  1      2.6928684679E-02       1.0000000        
S   1
  1      1.1531290248E-02       1.0000000        
S   1
  1      5.8927201663E-03       1.0000000        
P   1
  1      1.1411126428E+01       1.0000000        
P   1
  1      6.5595316385E+00       1.0000000        
P   1
  1      3.2386540391E+00       1.0000000        
P   1
  1      1.5367454783E+00       1.0000000        
P   1
  1      7.2548542672E-01       1.0000000        
P   1
  1      3.4098183844E-01       1.0000000        
P   1
  1      1.6095071231E-01       1.0000000        
P   1
  1      7.6681585584E-02       1.0000000        
P   1
  1      3.7687475537E-02       1.0000000        
P   1
  1      2.1569433418E-02       1.0000000        
D   1
  1      5.6828890005E-01       1.0000000        
D   1
  1      3.5383574250E-01       1.0000000        
D   1
  1      1.9425423986E-01       1.0000000        
D   1
  1      1.0577023667E-01       1.0000000        
D   1
  1      6.5628977026E-02       1.0000000        
F   1
  1      2.7871294897E-01       1.0000000        
F   1
  1      2.2061555560E-01       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Li
data:
LITHIUM
S   1
  1      4.8704863236E+03       1.0000000        
S   1
  1      2.5247465514E+03       1.0000000        
S   1
  1      1.0926827622E+03       1.0000000        
S   1
  1      4.5930571525E+02       1.0000000        
S   1
  1      1.9031632816E+02       1.0000000        
S   1
  1      7.9055079346E+01       1.0000000        
S   1
  1      3.2496185482E+01       1.0000000        
S   1
  1      1.3463154130E+01       1.0000000        
S   1
  1      5.5318236845E+00       1.0000000        
S   1
  1      2.2870181148E+00       1.0000000        
S   1
  1      9.3634760814E-01       1.0000000        
S   1
  1      3.8644902862E-01       1.0000000        
S   1
  1      1.5884319079E-01       1.0000000        
S   1
  1      6.4899858224E-02       1.0000000        
S   1
  1      2.6928684679E-02       1.0000000        
S   1
  1      1.1531290248E-02       1.0000000        
S   1
  1      5.8927201663E-03       1.0000000        
P   1
  1      1.1411126428E+01       1.0000000        
P   1
  1      6.5595316385E+00       1.0000000        
P   1
  1      3.2386540391E+00       1.0000000        
P   1
  1      1.5367454783E+00       1.0000000        
P   1
  1      7.2548542672E-01       1.0000000        
P   1
  1      3.4098183844E-01       1.0000000        
P   1
  1      1.6095071231E-01       1.0000000        
P   1
  1      7.6681585584E-02       1.0000000        
P   1
  1      3.7687475537E-02       1.0000000        
P   1
  1      2.1569433418E-02       1.0000000        
D   1
  1      5.6828890005E-01       1.0000000        
D   1
  1      3.5383574250E-01       1.0000000        
D   1
  1      1.9425423986E-01       1.0000000        
D   1
  1      1.0577023667E-01       1.0000000        
D   1
  1      6.5628977026E-02       1.0000000        
F   1
  1      2.7871294897E-01       1.0000000        
F   1
  1      2.2061555560E-01       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Ne
data:
NEON
S   1
  1      2.9359875724E+04       1.0000000        
S   1
  1      1.5219475030E+04       1.0000000        
S   1
  1      6.5868227465E+03       1.0000000        
S   1
  1      2.7687499406E+03       1.0000000        
S   1
  1      1.1472496527E+03       1.0000000        
S   1
  1      4.7655350015E+02       1.0000000        
S   1
  1      1.9589090368E+02       1.0000000        
S   1
  1      8.1157507863E+01       1.0000000        
S   1
  1      3.3346496656E+01       1.0000000        
S   1
  1      1.3786419500E+01       1.0000000        
S   1
  1      5.6444156872E+00       1.0000000        
S   1
  1      2.3295610951E+00       1.0000000        
S   1
  1      9.5752580570E-01       1.0000000        
S   1
  1      3.9122412945E-01       1.0000000        
S   1
  1      1.6232934107E-01       1.0000000        
S   1
  1      6.9512000678E-02       1.0000000        
S   1
  1      3.5522023934E-02       1.0000000        
P   1
  1      6.5083597450E+01       1.0000000        
P   1
  1      3.7174569603E+01       1.0000000        
P   1
  1      1.8294641646E+01       1.0000000        
P   1
  1      8.6340330283E+00       1.0000000        
P   1
  1      4.0715724075E+00       1.0000000        
P   1
  1      1.9104156173E+00       1.0000000        
P   1
  1      9.0900375994E-01       1.0000000        
P   1
  1      4.2415035253E-01       1.0000000        
P   1
  1      2.0142202645E-01       1.0000000        
P   1
  1      9.5133856348E-02       1.0000000        
P   1
  1      4.6745801960E-02       1.0000000        
P   1
  1      2.6671455432E-02       1.0000000        
D   1
  1      3.5803982212E+00       1.0000000        
D   1
  1      2.2057578968E+00       1.0000000        
D   1
  1      1.1968791564E+00       1.0000000        
D   1
  1      6.2550873740E-01       1.0000000        
D   1
  1      3.3756274549E-01       1.0000000        
D   1
  1      2.0835700875E-01       1.0000000        
F   1
  1      1.8627610419E+00       1.0000000        
F   1
  1      1.4744706471E+00       1.0000000        
G   1
  1      1.6788040181E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: C
data:
CARBON
S   1
  1      2.9359875724E+04       1.0000000        
S   1
  1      1.5219475030E+04       1.0000000        
S   1
  1      6.5868227465E+03       1.0000000        
S   1
  1      2.7687499406E+03       1.0000000        
S   1
  1      1.1472496527E+03       1.0000000        
S   1
  1      4.7655350015E+02       1.0000000        
S   1
  1      1.9589090368E+02       1.0000000        
S   1
  1      8.1157507863E+01       1.0000000        
S   1
  1      3.3346496656E+01       1.0000000        
S   1
  1      1.3786419500E+01       1.0000000        
S   1
  1      5.6444156872E+00       1.0000000        
S   1
  1      2.3295610951E+00       1.0000000        
S   1
  1      9.5752580570E-01       1.0000000        
S   1
  1      3.9122412945E-01       1.0000000        
S   1
  1      1.6232934107E-01       1.0000000        
S   1
  1      6.9512000678E-02       1.0000000        
S   1
  1      3.5522023934E-02       1.0000000        
P   1
  1      6.5083597450E+01       1.0000000        
P   1
  1      3.7174569603E+01       1.0000000        
P   1
  1      1.8294641646E+01       1.0000000        
P   1
  1      8.6340330283E+00       1.0000000        
P   1
  1      4.0715724075E+00       1.0000000        
P   1
  1      1.9104156173E+00       1.0000000        
P   1
  1      9.0900375994E-01       1.0000000        
P   1
  1      4.2415035253E-01       1.0000000        
P   1
  1      2.0142202645E-01       1.0000000        
P   1
  1      9.5133856348E-02       1.0000000        
P   1
  1      4.6745801960E-02       1.0000000        
P   1
  1      2.6671455432E-02       1.0000000        
D   1
  1      3.5803982212E+00       1.0000000        
D   1
  1      2.2057578968E+00       1.0000000        
D   1
  1      1.1968791564E+00       1.0000000        
D   1
  1      6.2550873740E-01       1.0000000        
D   1
  1      3.3756274549E-01       1.0000000        
D   1
  1      2.0835700875E-01       1.0000000        
F   1
  1      1.8627610419E+00       1.0000000        
F   1
  1      1.4744706471E+00       1.0000000        
G   1
  1      1.6788040181E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: N
data:
NITROGEN
S   1
  1      2.9359875724E+04       1.0000000        
S   1
  1      1.5219475030E+04       1.0000000        
S   1
  1      6.5868227465E+03       1.0000000        
S   1
  1      2.7687499406E+03       1.0000000        
S   1
  1      1.1472496527E+03       1.0000000        
S   1
  1      4.7655350015E+02       1.0000000        
S   1
  1      1.9589090368E+02       1.0000000        
S   1
  1      8.1157507863E+01       1.0000000        
S   1
  1      3.3346496656E+01       1.0000000        
S   1
  1      1.3786419500E+01       1.0000000        
S   1
  1      5.6444156872E+00       1.0000000        
S   1
  1      2.3295610951E+00       1.0000000        
S   1
  1      9.5752580570E-01       1.0000000        
S   1
  1      3.9122412945E-01       1.0000000        
S   1
  1      1.6232934107E-01       1.0000000        
S   1
  1      6.9512000678E-02       1.0000000        
S   1
  1      3.5522023934E-02       1.0000000        
P   1
  1      6.5083597450E+01       1.0000000        
P   1
  1      3.7174569603E+01       1.0000000        
P   1
  1      1.8294641646E+01       1.0000000        
P   1
  1      8.6340330283E+00       1.0000000        
P   1
  1      4.0715724075E+00       1.0000000        
P   1
  1      1.9104156173E+00       1.0000000        
P   1
  1      9.0900375994E-01       1.0000000        
P   1
  1      4.2415035253E-01       1.0000000        
P   1
  1      2.0142202645E-01       1.0000000        
P   1
  1      9.5133856348E-02       1.0000000        
P   1
  1      4.6745801960E-02       1.0000000        
P   1
  1      2.6671455432E-02       1.0000000        
D   1
  1      3.5803982212E+00       1.0000000        
D   1
  1      2.2057578968E+00       1.0000000        
D   1
  1      1.1968791564E+00       1.0000000        
D   1
  1      6.2550873740E-01       1.0000000        
D   1
  1      3.3756274549E-01       1.0000000        
D   1
  1      2.0835700875E-01       1.0000000        
F   1
  1      1.8627610419E+00       1.0000000        
F   1
  1      1.4744706471E+00       1.0000000        
G   1
  1      1.6788040181E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: F
data:
FLUORINE
S   1
  1      2.9359875724E+04       1.0000000        
S   1
  1      1.5219475030E+04       1.0000000        
S   1
  1      6.5868227465E+03       1.0000000        
S   1
  1      2.7687499406E+03       1.0000000        
S   1
  1      1.1472496527E+03       1.0000000        
S   1
  1      4.7655350015E+02       1.0000000        
S   1
  1      1.9589090368E+02       1.0000000        
S   1
  1      8.1157507863E+01       1.0000000        
S   1
  1      3.3346496656E+01       1.0000000        
S   1
  1      1.3786419500E+01       1.0000000        
S   1
  1      5.6444156872E+00       1.0000000        
S   1
  1      2.3295610951E+00       1.0000000        
S   1
  1      9.5752580570E-01       1.0000000        
S   1
  1      3.9122412945E-01       1.0000000        
S   1
  1      1.6232934107E-01       1.0000000        
S   1
  1      6.9512000678E-02       1.0000000        
S   1
  1      3.5522023934E-02       1.0000000        
P   1
  1      6.5083597450E+01       1.0000000        
P   1
  1      3.7174569603E+01       1.0000000        
P   1
  1      1.8294641646E+01       1.0000000        
P   1
  1      8.6340330283E+00       1.0000000        
P   1
  1      4.0715724075E+00       1.0000000        
P   1
  1      1.9104156173E+00       1.0000000        
P   1
  1      9.0900375994E-01       1.0000000        
P   1
  1      4.2415035253E-01       1.0000000        
P   1
  1      2.0142202645E-01       1.0000000        
P   1
  1      9.5133856348E-02       1.0000000        
P   1
  1      4.6745801960E-02       1.0000000        
P   1
  1      2.6671455432E-02       1.0000000        
D   1
  1      3.5803982212E+00       1.0000000        
D   1
  1      2.2057578968E+00       1.0000000        
D   1
  1      1.1968791564E+00       1.0000000        
D   1
  1      6.2550873740E-01       1.0000000        
D   1
  1      3.3756274549E-01       1.0000000        
D   1
  1      2.0835700875E-01       1.0000000        
F   1
  1      1.8627610419E+00       1.0000000        
F   1
  1      1.4744706471E+00       1.0000000        
G   1
  1      1.6788040181E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: B
data:
BORON
S   1
  1      2.9359875724E+04       1.0000000        
S   1
  1      1.5219475030E+04       1.0000000        
S   1
  1      6.5868227465E+03       1.0000000        
S   1
  1      2.7687499406E+03       1.0000000        
S   1
  1      1.1472496527E+03       1.0000000        
S   1
  1      4.7655350015E+02       1.0000000        
S   1
  1      1.9589090368E+02       1.0000000        
S   1
  1      8.1157507863E+01       1.0000000        
S   1
  1      3.3346496656E+01       1.0000000        
S   1
  1      1.3786419500E+01       1.0000000        
S   1
  1      5.6444156872E+00       1.0000000        
S   1
  1      2.3295610951E+00       1.0000000        
S   1
  1      9.5752580570E-01       1.0000000        
S   1
  1      3.9122412945E-01       1.0000000        
S   1
  1      1.6232934107E-01       1.0000000        
S   1
  1      6.9512000678E-02       1.0000000        
S   1
  1      3.5522023934E-02       1.0000000        
P   1
  1      6.5083597450E+01       1.0000000        
P   1
  1      3.7174569603E+01       1.0000000        
P   1
  1      1.8294641646E+01       1.0000000        
P   1
  1      8.6340330283E+00       1.0000000        
P   1
  1      4.0715724075E+00       1.0000000        
P   1
  1      1.9104156173E+00       1.0000000        
P   1
  1      9.0900375994E-01       1.0000000        
P   1
  1      4.2415035253E-01       1.0000000        
P   1
  1      2.0142202645E-01       1.0000000        
P   1
  1      9.5133856348E-02       1.0000000        
P   1
  1      4.6745801960E-02       1.0000000        
P   1
  1      2.6671455432E-02       1.0000000        
D   1
  1      3.5803982212E+00       1.0000000        
D   1
  1      2.2057578968E+00       1.0000000        
D   1
  1      1.1968791564E+00       1.0000000        
D   1
  1      6.2550873740E-01       1.0000000        
D   1
  1      3.3756274549E-01       1.0000000        
D   1
  1      2.0835700875E-01       1.0000000        
F   1
  1      1.8627610419E+00       1.0000000        
F   1
  1      1.4744706471E+00       1.0000000        
G   1
  1      1.6788040181E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: O
data:
OXYGEN
S   1
  1      2.9359875724E+04       1.0000000        
S   1
  1      1.5219475030E+04       1.0000000        
S   1
  1      6.5868227465E+03       1.0000000        
S   1
  1      2.7687499406E+03       1.0000000        
S   1
  1      1.1472496527E+03       1.0000000        
S   1
  1      4.7655350015E+02       1.0000000        
S   1
  1      1.9589090368E+02       1.0000000        
S   1
  1      8.1157507863E+01       1.0000000        
S   1
  1      3.3346496656E+01       1.0000000        
S   1
  1      1.3786419500E+01       1.0000000        
S   1
  1      5.6444156872E+00       1.0000000        
S   1
  1      2.3295610951E+00       1.0000000        
S   1
  1      9.5752580570E-01       1.0000000        
S   1
  1      3.9122412945E-01       1.0000000        
S   1
  1      1.6232934107E-01       1.0000000        
S   1
  1      6.9512000678E-02       1.0000000        
S   1
  1      3.5522023934E-02       1.0000000        
P   1
  1      6.5083597450E+01       1.0000000        
P   1
  1      3.7174569603E+01       1.0000000        
P   1
  1      1.8294641646E+01       1.0000000        
P   1
  1      8.6340330283E+00       1.0000000        
P   1
  1      4.0715724075E+00       1.0000000        
P   1
  1      1.9104156173E+00       1.0000000        
P   1
  1      9.0900375994E-01       1.0000000        
P   1
  1      4.2415035253E-01       1.0000000        
P   1
  1      2.0142202645E-01       1.0000000        
P   1
  1      9.5133856348E-02       1.0000000        
P   1
  1      4.6745801960E-02       1.0000000        
P   1
  1      2.6671455432E-02       1.0000000        
D   1
  1      3.5803982212E+00       1.0000000        
D   1
  1      2.2057578968E+00       1.0000000        
D   1
  1      1.1968791564E+00       1.0000000        
D   1
  1      6.2550873740E-01       1.0000000        
D   1
  1      3.3756274549E-01       1.0000000        
D   1
  1      2.0835700875E-01       1.0000000        
F   1
  1      1.8627610419E+00       1.0000000        
F   1
  1      1.4744706471E+00       1.0000000        
G   1
  1      1.6788040181E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Mg
data:
MAGNESIUM
S   1
  1      2.9058192043E+04       1.0000000        
S   1
  1      1.4958609146E+04       1.0000000        
S   1
  1      6.4571806939E+03       1.0000000        
S   1
  1      2.6881742491E+03       1.0000000        
S   1
  1      1.1105032195E+03       1.0000000        
S   1
  1      4.5690128292E+02       1.0000000        
S   1
  1      1.8829144097E+02       1.0000000        
S   1
  1      7.7684298261E+01       1.0000000        
S   1
  1      3.1884071733E+01       1.0000000        
S   1
  1      1.3203466950E+01       1.0000000        
S   1
  1      5.4377650897E+00       1.0000000        
S   1
  1      2.2431675172E+00       1.0000000        
S   1
  1      9.2064495137E-01       1.0000000        
S   1
  1      3.7925016269E-01       1.0000000        
S   1
  1      1.5653376377E-01       1.0000000        
S   1
  1      6.4375470190E-02       1.0000000        
S   1
  1      2.6725823728E-02       1.0000000        
S   1
  1      1.1484610547E-02       1.0000000        
S   1
  1      5.9018238943E-03       1.0000000        
P   1
  1      9.5849462932E+01       1.0000000        
P   1
  1      5.4747473569E+01       1.0000000        
P   1
  1      2.6942757392E+01       1.0000000        
P   1
  1      1.2715453065E+01       1.0000000        
P   1
  1      5.9962577952E+00       1.0000000        
P   1
  1      2.8134939995E+00       1.0000000        
P   1
  1      1.3387016945E+00       1.0000000        
P   1
  1      6.2465175690E-01       1.0000000        
P   1
  1      2.9663684575E-01       1.0000000        
P   1
  1      1.4010487120E-01       1.0000000        
P   1
  1      6.8843152311E-02       1.0000000        
P   1
  1      3.9279400323E-02       1.0000000        
D   1
  1      2.4372211114E+00       1.0000000        
D   1
  1      1.4916054473E+00       1.0000000        
D   1
  1      8.0713941784E-01       1.0000000        
D   1
  1      4.1811625951E-01       1.0000000        
D   1
  1      2.1756271696E-01       1.0000000        
D   1
  1      1.1702356434E-01       1.0000000        
D   1
  1      7.1982311003E-02       1.0000000        
F   1
  1      2.7384196343E-01       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Na
data:
SODIUM
S   1
  1      2.9058192043E+04       1.0000000        
S   1
  1      1.4958609146E+04       1.0000000        
S   1
  1      6.4571806939E+03       1.0000000        
S   1
  1      2.6881742491E+03       1.0000000        
S   1
  1      1.1105032195E+03       1.0000000        
S   1
  1      4.5690128292E+02       1.0000000        
S   1
  1      1.8829144097E+02       1.0000000        
S   1
  1      7.7684298261E+01       1.0000000        
S   1
  1      3.1884071733E+01       1.0000000        
S   1
  1      1.3203466950E+01       1.0000000        
S   1
  1      5.4377650897E+00       1.0000000        
S   1
  1      2.2431675172E+00       1.0000000        
S   1
  1      9.2064495137E-01       1.0000000        
S   1
  1      3.7925016269E-01       1.0000000        
S   1
  1      1.5653376377E-01       1.0000000        
S   1
  1      6.4375470190E-02       1.0000000        
S   1
  1      2.6725823728E-02       1.0000000        
S   1
  1      1.1484610547E-02       1.0000000        
S   1
  1      5.9018238943E-03       1.0000000        
P   1
  1      9.5849462932E+01       1.0000000        
P   1
  1      5.4747473569E+01       1.0000000        
P   1
  1      2.6942757392E+01       1.0000000        
P   1
  1      1.2715453065E+01       1.0000000        
P   1
  1      5.9962577952E+00       1.0000000        
P   1
  1      2.8134939995E+00       1.0000000        
P   1
  1      1.3387016945E+00       1.0000000        
P   1
  1      6.2465175690E-01       1.0000000        
P   1
  1      2.9663684575E-01       1.0000000        
P   1
  1      1.4010487120E-01       1.0000000        
P   1
  1      6.8843152311E-02       1.0000000        
P   1
  1      3.9279400323E-02       1.0000000        
D   1
  1      2.4372211114E+00       1.0000000        
D   1
  1      1.4916054473E+00       1.0000000        
D   1
  1      8.0713941784E-01       1.0000000        
D   1
  1      4.1811625951E-01       1.0000000        
D   1
  1      2.1756271696E-01       1.0000000        
D   1
  1      1.1702356434E-01       1.0000000        
D   1
  1      7.1982311003E-02       1.0000000        
F   1
  1      2.7384196343E-01       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Ar
data:
ARGON
S   1
  1      7.1477317914E+04       1.0000000        
S   1
  1      3.6795175003E+04       1.0000000        
S   1
  1      1.5883367988E+04       1.0000000        
S   1
  1      6.6123689021E+03       1.0000000        
S   1
  1      2.7316149452E+03       1.0000000        
S   1
  1      1.1238854161E+03       1.0000000        
S   1
  1      4.6315913828E+02       1.0000000        
S   1
  1      1.9108777572E+02       1.0000000        
S   1
  1      7.8428414553E+01       1.0000000        
S   1
  1      3.2477877610E+01       1.0000000        
S   1
  1      1.3375810287E+01       1.0000000        
S   1
  1      5.5177416932E+00       1.0000000        
S   1
  1      2.2646017267E+00       1.0000000        
S   1
  1      9.3287925167E-01       1.0000000        
S   1
  1      3.8504162891E-01       1.0000000        
S   1
  1      1.5835073090E-01       1.0000000        
S   1
  1      6.5740160171E-02       1.0000000        
S   1
  1      2.8249835984E-02       1.0000000        
S   1
  1      1.4517301770E-02       1.0000000        
P   1
  1      3.0107532856E+02       1.0000000        
P   1
  1      1.7260227677E+02       1.0000000        
P   1
  1      8.4513858886E+01       1.0000000        
P   1
  1      4.0119443000E+01       1.0000000        
P   1
  1      1.8867486842E+01       1.0000000        
P   1
  1      8.8645929392E+00       1.0000000        
P   1
  1      4.1640399009E+00       1.0000000        
P   1
  1      1.9540854211E+00       1.0000000        
P   1
  1      9.2119417346E-01       1.0000000        
P   1
  1      4.3106059481E-01       1.0000000        
P   1
  1      2.0210439853E-01       1.0000000        
P   1
  1      9.5749614772E-02       1.0000000        
P   1
  1      4.6806332392E-02       1.0000000        
P   1
  1      2.6724135569E-02       1.0000000        
D   1
  1      2.9013754631E+00       1.0000000        
D   1
  1      1.7756728863E+00       1.0000000        
D   1
  1      9.6085434812E-01       1.0000000        
D   1
  1      4.9774402920E-01       1.0000000        
D   1
  1      2.5899625017E-01       1.0000000        
D   1
  1      1.3931001032E-01       1.0000000        
D   1
  1      8.5690916570E-02       1.0000000        
F   1
  1      7.7963362103E-01       1.0000000        
F   1
  1      5.1581017099E-01       1.0000000        
F   1
  1      3.0928737168E-01       1.0000000        
F   1
  1      2.0483371212E-01       1.0000000        
G   1
  1      1.1885022274E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: P
data:
PHOSPHOROUS
S   1
  1      7.1477317914E+04       1.0000000        
S   1
  1      3.6795175003E+04       1.0000000        
S   1
  1      1.5883367988E+04       1.0000000        
S   1
  1      6.6123689021E+03       1.0000000        
S   1
  1      2.7316149452E+03       1.0000000        
S   1
  1      1.1238854161E+03       1.0000000        
S   1
  1      4.6315913828E+02       1.0000000        
S   1
  1      1.9108777572E+02       1.0000000        
S   1
  1      7.8428414553E+01       1.0000000        
S   1
  1      3.2477877610E+01       1.0000000        
S   1
  1      1.3375810287E+01       1.0000000        
S   1
  1      5.5177416932E+00       1.0000000        
S   1
  1      2.2646017267E+00       1.0000000        
S   1
  1      9.3287925167E-01       1.0000000        
S   1
  1      3.8504162891E-01       1.0000000        
S   1
  1      1.5835073090E-01       1.0000000        
S   1
  1      6.5740160171E-02       1.0000000        
S   1
  1      2.8249835984E-02       1.0000000        
S   1
  1      1.4517301770E-02       1.0000000        
P   1
  1      3.0107532856E+02       1.0000000        
P   1
  1      1.7260227677E+02       1.0000000        
P   1
  1      8.4513858886E+01       1.0000000        
P   1
  1      4.0119443000E+01       1.0000000        
P   1
  1      1.8867486842E+01       1.0000000        
P   1
  1      8.8645929392E+00       1.0000000        
P   1
  1      4.1640399009E+00       1.0000000        
P   1
  1      1.9540854211E+00       1.0000000        
P   1
  1      9.2119417346E-01       1.0000000        
P   1
  1      4.3106059481E-01       1.0000000        
P   1
  1      2.0210439853E-01       1.0000000        
P   1
  1      9.5749614772E-02       1.0000000        
P   1
  1      4.6806332392E-02       1.0000000        
P   1
  1      2.6724135569E-02       1.0000000        
D   1
  1      2.9013754631E+00       1.0000000        
D   1
  1      1.7756728863E+00       1.0000000        
D   1
  1      9.6085434812E-01       1.0000000        
D   1
  1      4.9774402920E-01       1.0000000        
D   1
  1      2.5899625017E-01       1.0000000        
D   1
  1      1.3931001032E-01       1.0000000        
D   1
  1      8.5690916570E-02       1.0000000        
F   1
  1      7.7963362103E-01       1.0000000        
F   1
  1      5.1581017099E-01       1.0000000        
F   1
  1      3.0928737168E-01       1.0000000        
F   1
  1      2.0483371212E-01       1.0000000        
G   1
  1      1.1885022274E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Cl
data:
CHLORINE
S   1
  1      7.1477317914E+04       1.0000000        
S   1
  1      3.6795175003E+04       1.0000000        
S   1
  1      1.5883367988E+04       1.0000000        
S   1
  1      6.6123689021E+03       1.0000000        
S   1
  1      2.7316149452E+03       1.0000000        
S   1
  1      1.1238854161E+03       1.0000000        
S   1
  1      4.6315913828E+02       1.0000000        
S   1
  1      1.9108777572E+02       1.0000000        
S   1
  1      7.8428414553E+01       1.0000000        
S   1
  1      3.2477877610E+01       1.0000000        
S   1
  1      1.3375810287E+01       1.0000000        
S   1
  1      5.5177416932E+00       1.0000000        
S   1
  1      2.2646017267E+00       1.0000000        
S   1
  1      9.3287925167E-01       1.0000000        
S   1
  1      3.8504162891E-01       1.0000000        
S   1
  1      1.5835073090E-01       1.0000000        
S   1
  1      6.5740160171E-02       1.0000000        
S   1
  1      2.8249835984E-02       1.0000000        
S   1
  1      1.4517301770E-02       1.0000000        
P   1
  1      3.0107532856E+02       1.0000000        
P   1
  1      1.7260227677E+02       1.0000000        
P   1
  1      8.4513858886E+01       1.0000000        
P   1
  1      4.0119443000E+01       1.0000000        
P   1
  1      1.8867486842E+01       1.0000000        
P   1
  1      8.8645929392E+00       1.0000000        
P   1
  1      4.1640399009E+00       1.0000000        
P   1
  1      1.9540854211E+00       1.0000000        
P   1
  1      9.2119417346E-01       1.0000000        
P   1
  1      4.3106059481E-01       1.0000000        
P   1
  1      2.0210439853E-01       1.0000000        
P   1
  1      9.5749614772E-02       1.0000000        
P   1
  1      4.6806332392E-02       1.0000000        
P   1
  1      2.6724135569E-02       1.0000000        
D   1
  1      2.9013754631E+00       1.0000000        
D   1
  1      1.7756728863E+00       1.0000000        
D   1
  1      9.6085434812E-01       1.0000000        
D   1
  1      4.9774402920E-01       1.0000000        
D   1
  1      2.5899625017E-01       1.0000000        
D   1
  1      1.3931001032E-01       1.0000000        
D   1
  1      8.5690916570E-02       1.0000000        
F   1
  1      7.7963362103E-01       1.0000000        
F   1
  1      5.1581017099E-01       1.0000000        
F   1
  1      3.0928737168E-01       1.0000000        
F   1
  1      2.0483371212E-01       1.0000000        
G   1
  1      1.1885022274E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Al
data:
ALUMINUM
S   1
  1      7.1477317914E+04       1.0000000        
S   1
  1      3.6795175003E+04       1.0000000        
S   1
  1      1.5883367988E+04       1.0000000        
S   1
  1      6.6123689021E+03       1.0000000        
S   1
  1      2.7316149452E+03       1.0000000        
S   1
  1      1.1238854161E+03       1.0000000        
S   1
  1      4.6315913828E+02       1.0000000        
S   1
  1      1.9108777572E+02       1.0000000        
S   1
  1      7.8428414553E+01       1.0000000        
S   1
  1      3.2477877610E+01       1.0000000        
S   1
  1      1.3375810287E+01       1.0000000        
S   1
  1      5.5177416932E+00       1.0000000        
S   1
  1      2.2646017267E+00       1.0000000        
S   1
  1      9.3287925167E-01       1.0000000        
S   1
  1      3.8504162891E-01       1.0000000        
S   1
  1      1.5835073090E-01       1.0000000        
S   1
  1      6.5740160171E-02       1.0000000        
S   1
  1      2.8249835984E-02       1.0000000        
S   1
  1      1.4517301770E-02       1.0000000        
P   1
  1      3.0107532856E+02       1.0000000        
P   1
  1      1.7260227677E+02       1.0000000        
P   1
  1      8.4513858886E+01       1.0000000        
P   1
  1      4.0119443000E+01       1.0000000        
P   1
  1      1.8867486842E+01       1.0000000        
P   1
  1      8.8645929392E+00       1.0000000        
P   1
  1      4.1640399009E+00       1.0000000        
P   1
  1      1.9540854211E+00       1.0000000        
P   1
  1      9.2119417346E-01       1.0000000        
P   1
  1      4.3106059481E-01       1.0000000        
P   1
  1      2.0210439853E-01       1.0000000        
P   1
  1      9.5749614772E-02       1.0000000        
P   1
  1      4.6806332392E-02       1.0000000        
P   1
  1      2.6724135569E-02       1.0000000        
D   1
  1      2.9013754631E+00       1.0000000        
D   1
  1      1.7756728863E+00       1.0000000        
D   1
  1      9.6085434812E-01       1.0000000        
D   1
  1      4.9774402920E-01       1.0000000        
D   1
  1      2.5899625017E-01       1.0000000        
D   1
  1      1.3931001032E-01       1.0000000        
D   1
  1      8.5690916570E-02       1.0000000        
F   1
  1      7.7963362103E-01       1.0000000        
F   1
  1      5.1581017099E-01       1.0000000        
F   1
  1      3.0928737168E-01       1.0000000        
F   1
  1      2.0483371212E-01       1.0000000        
G   1
  1      1.1885022274E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: Si
data:
SILICON
S   1
  1      7.1477317914E+04       1.0000000        
S   1
  1      3.6795175003E+04       1.0000000        
S   1
  1      1.5883367988E+04       1.0000000        
S   1
  1      6.6123689021E+03       1.0000000        
S   1
  1      2.7316149452E+03       1.0000000        
S   1
  1      1.1238854161E+03       1.0000000        
S   1
  1      4.6315913828E+02       1.0000000        
S   1
  1      1.9108777572E+02       1.0000000        
S   1
  1      7.8428414553E+01       1.0000000        
S   1
  1      3.2477877610E+01       1.0000000        
S   1
  1      1.3375810287E+01       1.0000000        
S   1
  1      5.5177416932E+00       1.0000000        
S   1
  1      2.2646017267E+00       1.0000000        
S   1
  1      9.3287925167E-01       1.0000000        
S   1
  1      3.8504162891E-01       1.0000000        
S   1
  1      1.5835073090E-01       1.0000000        
S   1
  1      6.5740160171E-02       1.0000000        
S   1
  1      2.8249835984E-02       1.0000000        
S   1
  1      1.4517301770E-02       1.0000000        
P   1
  1      3.0107532856E+02       1.0000000        
P   1
  1      1.7260227677E+02       1.0000000        
P   1
  1      8.4513858886E+01       1.0000000        
P   1
  1      4.0119443000E+01       1.0000000        
P   1
  1      1.8867486842E+01       1.0000000        
P   1
  1      8.8645929392E+00       1.0000000        
P   1
  1      4.1640399009E+00       1.0000000        
P   1
  1      1.9540854211E+00       1.0000000        
P   1
  1      9.2119417346E-01       1.0000000        
P   1
  1      4.3106059481E-01       1.0000000        
P   1
  1      2.0210439853E-01       1.0000000        
P   1
  1      9.5749614772E-02       1.0000000        
P   1
  1      4.6806332392E-02       1.0000000        
P   1
  1      2.6724135569E-02       1.0000000        
D   1
  1      2.9013754631E+00       1.0000000        
D   1
  1      1.7756728863E+00       1.0000000        
D   1
  1      9.6085434812E-01       1.0000000        
D   1
  1      4.9774402920E-01       1.0000000        
D   1
  1      2.5899625017E-01       1.0000000        
D   1
  1      1.3931001032E-01       1.0000000        
D   1
  1      8.5690916570E-02       1.0000000        
F   1
  1      7.7963362103E-01       1.0000000        
F   1
  1      5.1581017099E-01       1.0000000        
F   1
  1      3.0928737168E-01       1.0000000        
F   1
  1      2.0483371212E-01       1.0000000        
G   1
  1      1.1885022274E+00       1.0000000        


name: un-ccemd-ref
description: The un-ccemd-ref basis set
elt: S
data:
SULFUR
S   1
  1      7.1477317914E+04       1.0000000        
S   1
  1      3.6795175003E+04       1.0000000        
S   1
  1      1.5883367988E+04       1.0000000        
S   1
  1      6.6123689021E+03       1.0000000        
S   1
  1      2.7316149452E+03       1.0000000        
S   1
  1      1.1238854161E+03       1.0000000        
S   1
  1      4.6315913828E+02       1.0000000        
S   1
  1      1.9108777572E+02       1.0000000        
S   1
  1      7.8428414553E+01       1.0000000        
S   1
  1      3.2477877610E+01       1.0000000        
S   1
  1      1.3375810287E+01       1.0000000        
S   1
  1      5.5177416932E+00       1.0000000        
S   1
  1      2.2646017267E+00       1.0000000        
S   1
  1      9.3287925167E-01       1.0000000        
S   1
  1      3.8504162891E-01       1.0000000        
S   1
  1      1.5835073090E-01       1.0000000        
S   1
  1      6.5740160171E-02       1.0000000        
S   1
  1      2.8249835984E-02       1.0000000        
S   1
  1      1.4517301770E-02       1.0000000        
P   1
  1      3.0107532856E+02       1.0000000        
P   1
  1      1.7260227677E+02       1.0000000        
P   1
  1      8.4513858886E+01       1.0000000        
P   1
  1      4.0119443000E+01       1.0000000        
P   1
  1      1.8867486842E+01       1.0000000        
P   1
  1      8.8645929392E+00       1.0000000        
P   1
  1      4.1640399009E+00       1.0000000        
P   1
  1      1.9540854211E+00       1.0000000        
P   1
  1      9.2119417346E-01       1.0000000        
P   1
  1      4.3106059481E-01       1.0000000        
P   1
  1      2.0210439853E-01       1.0000000        
P   1
  1      9.5749614772E-02       1.0000000        
P   1
  1      4.6806332392E-02       1.0000000        
P   1
  1      2.6724135569E-02       1.0000000        
D   1
  1      2.9013754631E+00       1.0000000        
D   1
  1      1.7756728863E+00       1.0000000        
D   1
  1      9.6085434812E-01       1.0000000        
D   1
  1      4.9774402920E-01       1.0000000        
D   1
  1      2.5899625017E-01       1.0000000        
D   1
  1      1.3931001032E-01       1.0000000        
D   1
  1      8.5690916570E-02       1.0000000        
F   1
  1      7.7963362103E-01       1.0000000        
F   1
  1      5.1581017099E-01       1.0000000        
F   1
  1      3.0928737168E-01       1.0000000        
F   1
  1      2.0483371212E-01       1.0000000        
G   1
  1      1.1885022274E+00       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: He
data:
HELIUM
S   1
  1      7.6154492193E+03       1.0000000        
S   1
  1      3.9476713159E+03       1.0000000        
S   1
  1      1.7085090759E+03       1.0000000        
S   1
  1      7.1816634279E+02       1.0000000        
S   1
  1      2.9757692280E+02       1.0000000        
S   1
  1      1.2360982093E+02       1.0000000        
S   1
  1      5.0810747412E+01       1.0000000        
S   1
  1      2.1050868393E+01       1.0000000        
S   1
  1      8.6495104513E+00       1.0000000        
S   1
  1      3.5759612407E+00       1.0000000        
S   1
  1      1.4640648156E+00       1.0000000        
S   1
  1      6.0424827373E-01       1.0000000        
S   1
  1      2.4836580434E-01       1.0000000        
S   1
  1      1.0147684272E-01       1.0000000        
S   1
  1      4.2105452534E-02       1.0000000        
S   1
  1      1.8030223161E-02       1.0000000        
S   1
  1      9.2138049895E-03       1.0000000        
P   1
  1      3.2800866038E+00       1.0000000        
P   1
  1      2.0624207948E+00       1.0000000        
P   1
  1      1.2915039918E+00       1.0000000        
D   1
  1      2.9853826189E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: H
data:
HYDROGEN
S   1
  1      7.6154492193E+03       1.0000000        
S   1
  1      3.9476713159E+03       1.0000000        
S   1
  1      1.7085090759E+03       1.0000000        
S   1
  1      7.1816634279E+02       1.0000000        
S   1
  1      2.9757692280E+02       1.0000000        
S   1
  1      1.2360982093E+02       1.0000000        
S   1
  1      5.0810747412E+01       1.0000000        
S   1
  1      2.1050868393E+01       1.0000000        
S   1
  1      8.6495104513E+00       1.0000000        
S   1
  1      3.5759612407E+00       1.0000000        
S   1
  1      1.4640648156E+00       1.0000000        
S   1
  1      6.0424827373E-01       1.0000000        
S   1
  1      2.4836580434E-01       1.0000000        
S   1
  1      1.0147684272E-01       1.0000000        
S   1
  1      4.2105452534E-02       1.0000000        
S   1
  1      1.8030223161E-02       1.0000000        
S   1
  1      9.2138049895E-03       1.0000000        
P   1
  1      3.2800866038E+00       1.0000000        
P   1
  1      2.0624207948E+00       1.0000000        
P   1
  1      1.2915039918E+00       1.0000000        
D   1
  1      2.9853826189E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Be
data:
BERYLLIUM
S   1
  1      2.9000490840E+04       1.0000000        
S   1
  1      1.5088253641E+04       1.0000000        
S   1
  1      6.5670385069E+03       1.0000000        
S   1
  1      2.7475289372E+03       1.0000000        
S   1
  1      1.1341709632E+03       1.0000000        
S   1
  1      4.7133058016E+02       1.0000000        
S   1
  1      1.9489528060E+02       1.0000000        
S   1
  1      8.0499086595E+01       1.0000000        
S   1
  1      3.3195832596E+01       1.0000000        
S   1
  1      1.3704646676E+01       1.0000000        
S   1
  1      5.6609669574E+00       1.0000000        
S   1
  1      2.3107171344E+00       1.0000000        
S   1
  1      9.5040641748E-01       1.0000000        
S   1
  1      3.8981596961E-01       1.0000000        
S   1
  1      1.5945592353E-01       1.0000000        
S   1
  1      6.5534963136E-02       1.0000000        
S   1
  1      2.6880568915E-02       1.0000000        
S   1
  1      1.1021391765E-02       1.0000000        
S   1
  1      4.5446413101E-03       1.0000000        
S   1
  1      1.9371758439E-03       1.0000000        
S   1
  1      9.8085858563E-04       1.0000000        
P   1
  1      1.1787350844E+01       1.0000000        
P   1
  1      6.7757991541E+00       1.0000000        
P   1
  1      3.3454323430E+00       1.0000000        
P   1
  1      1.5874119199E+00       1.0000000        
P   1
  1      7.4940465442E-01       1.0000000        
P   1
  1      3.5222399705E-01       1.0000000        
P   1
  1      1.6625725134E-01       1.0000000        
P   1
  1      7.9209774626E-02       1.0000000        
P   1
  1      3.8930030213E-02       1.0000000        
P   1
  1      2.2280576840E-02       1.0000000        
D   1
  1      4.5795117050E-01       1.0000000        
D   1
  1      2.8513576885E-01       1.0000000        
D   1
  1      1.5653826163E-01       1.0000000        
D   1
  1      8.5234118922E-02       1.0000000        
D   1
  1      5.2886598427E-02       1.0000000        
F   1
  1      1.4330125702E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Li
data:
LITHIUM
S   1
  1      2.9000490840E+04       1.0000000        
S   1
  1      1.5088253641E+04       1.0000000        
S   1
  1      6.5670385069E+03       1.0000000        
S   1
  1      2.7475289372E+03       1.0000000        
S   1
  1      1.1341709632E+03       1.0000000        
S   1
  1      4.7133058016E+02       1.0000000        
S   1
  1      1.9489528060E+02       1.0000000        
S   1
  1      8.0499086595E+01       1.0000000        
S   1
  1      3.3195832596E+01       1.0000000        
S   1
  1      1.3704646676E+01       1.0000000        
S   1
  1      5.6609669574E+00       1.0000000        
S   1
  1      2.3107171344E+00       1.0000000        
S   1
  1      9.5040641748E-01       1.0000000        
S   1
  1      3.8981596961E-01       1.0000000        
S   1
  1      1.5945592353E-01       1.0000000        
S   1
  1      6.5534963136E-02       1.0000000        
S   1
  1      2.6880568915E-02       1.0000000        
S   1
  1      1.1021391765E-02       1.0000000        
S   1
  1      4.5446413101E-03       1.0000000        
S   1
  1      1.9371758439E-03       1.0000000        
S   1
  1      9.8085858563E-04       1.0000000        
P   1
  1      1.1787350844E+01       1.0000000        
P   1
  1      6.7757991541E+00       1.0000000        
P   1
  1      3.3454323430E+00       1.0000000        
P   1
  1      1.5874119199E+00       1.0000000        
P   1
  1      7.4940465442E-01       1.0000000        
P   1
  1      3.5222399705E-01       1.0000000        
P   1
  1      1.6625725134E-01       1.0000000        
P   1
  1      7.9209774626E-02       1.0000000        
P   1
  1      3.8930030213E-02       1.0000000        
P   1
  1      2.2280576840E-02       1.0000000        
D   1
  1      4.5795117050E-01       1.0000000        
D   1
  1      2.8513576885E-01       1.0000000        
D   1
  1      1.5653826163E-01       1.0000000        
D   1
  1      8.5234118922E-02       1.0000000        
D   1
  1      5.2886598427E-02       1.0000000        
F   1
  1      1.4330125702E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Ne
data:
NEON
S   1
  1      1.7513812273E+05       1.0000000        
S   1
  1      9.1120127329E+04       1.0000000        
S   1
  1      3.9659287230E+04       1.0000000        
S   1
  1      1.6592721236E+04       1.0000000        
S   1
  1      6.8494210823E+03       1.0000000        
S   1
  1      2.8464329605E+03       1.0000000        
S   1
  1      1.1770005467E+03       1.0000000        
S   1
  1      4.8614552718E+02       1.0000000        
S   1
  1      2.0047439319E+02       1.0000000        
S   1
  1      8.2764326468E+01       1.0000000        
S   1
  1      3.4187391215E+01       1.0000000        
S   1
  1      1.3954752122E+01       1.0000000        
S   1
  1      5.7396406396E+00       1.0000000        
S   1
  1      2.3541545385E+00       1.0000000        
S   1
  1      9.6297718750E-01       1.0000000        
S   1
  1      3.9577503982E-01       1.0000000        
S   1
  1      1.6233561024E-01       1.0000000        
S   1
  1      6.6559765289E-02       1.0000000        
S   1
  1      2.7445740555E-02       1.0000000        
S   1
  1      1.1698882705E-02       1.0000000        
S   1
  1      5.9235456497E-03       1.0000000        
P   1
  1      1.3977475046E+02       1.0000000        
P   1
  1      8.0183058424E+01       1.0000000        
P   1
  1      3.9313001140E+01       1.0000000        
P   1
  1      1.8560511511E+01       1.0000000        
P   1
  1      8.7278598557E+00       1.0000000        
P   1
  1      4.1172476348E+00       1.0000000        
P   1
  1      1.9319740779E+00       1.0000000        
P   1
  1      9.0628559744E-01       1.0000000        
P   1
  1      4.2537088445E-01       1.0000000        
P   1
  1      2.0014403012E-01       1.0000000        
P   1
  1      9.4682925878E-02       1.0000000        
P   1
  1      4.6604956359E-02       1.0000000        
P   1
  1      2.6573021826E-02       1.0000000        
D   1
  1      1.4241291597E+00       1.0000000        
D   1
  1      9.0427956721E-01       1.0000000        
D   1
  1      5.1744476556E-01       1.0000000        
D   1
  1      3.2604856249E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: C
data:
CARBON
S   1
  1      1.7513812273E+05       1.0000000        
S   1
  1      9.1120127329E+04       1.0000000        
S   1
  1      3.9659287230E+04       1.0000000        
S   1
  1      1.6592721236E+04       1.0000000        
S   1
  1      6.8494210823E+03       1.0000000        
S   1
  1      2.8464329605E+03       1.0000000        
S   1
  1      1.1770005467E+03       1.0000000        
S   1
  1      4.8614552718E+02       1.0000000        
S   1
  1      2.0047439319E+02       1.0000000        
S   1
  1      8.2764326468E+01       1.0000000        
S   1
  1      3.4187391215E+01       1.0000000        
S   1
  1      1.3954752122E+01       1.0000000        
S   1
  1      5.7396406396E+00       1.0000000        
S   1
  1      2.3541545385E+00       1.0000000        
S   1
  1      9.6297718750E-01       1.0000000        
S   1
  1      3.9577503982E-01       1.0000000        
S   1
  1      1.6233561024E-01       1.0000000        
S   1
  1      6.6559765289E-02       1.0000000        
S   1
  1      2.7445740555E-02       1.0000000        
S   1
  1      1.1698882705E-02       1.0000000        
S   1
  1      5.9235456497E-03       1.0000000        
P   1
  1      1.3977475046E+02       1.0000000        
P   1
  1      8.0183058424E+01       1.0000000        
P   1
  1      3.9313001140E+01       1.0000000        
P   1
  1      1.8560511511E+01       1.0000000        
P   1
  1      8.7278598557E+00       1.0000000        
P   1
  1      4.1172476348E+00       1.0000000        
P   1
  1      1.9319740779E+00       1.0000000        
P   1
  1      9.0628559744E-01       1.0000000        
P   1
  1      4.2537088445E-01       1.0000000        
P   1
  1      2.0014403012E-01       1.0000000        
P   1
  1      9.4682925878E-02       1.0000000        
P   1
  1      4.6604956359E-02       1.0000000        
P   1
  1      2.6573021826E-02       1.0000000        
D   1
  1      1.4241291597E+00       1.0000000        
D   1
  1      9.0427956721E-01       1.0000000        
D   1
  1      5.1744476556E-01       1.0000000        
D   1
  1      3.2604856249E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: N
data:
NITROGEN
S   1
  1      1.7513812273E+05       1.0000000        
S   1
  1      9.1120127329E+04       1.0000000        
S   1
  1      3.9659287230E+04       1.0000000        
S   1
  1      1.6592721236E+04       1.0000000        
S   1
  1      6.8494210823E+03       1.0000000        
S   1
  1      2.8464329605E+03       1.0000000        
S   1
  1      1.1770005467E+03       1.0000000        
S   1
  1      4.8614552718E+02       1.0000000        
S   1
  1      2.0047439319E+02       1.0000000        
S   1
  1      8.2764326468E+01       1.0000000        
S   1
  1      3.4187391215E+01       1.0000000        
S   1
  1      1.3954752122E+01       1.0000000        
S   1
  1      5.7396406396E+00       1.0000000        
S   1
  1      2.3541545385E+00       1.0000000        
S   1
  1      9.6297718750E-01       1.0000000        
S   1
  1      3.9577503982E-01       1.0000000        
S   1
  1      1.6233561024E-01       1.0000000        
S   1
  1      6.6559765289E-02       1.0000000        
S   1
  1      2.7445740555E-02       1.0000000        
S   1
  1      1.1698882705E-02       1.0000000        
S   1
  1      5.9235456497E-03       1.0000000        
P   1
  1      1.3977475046E+02       1.0000000        
P   1
  1      8.0183058424E+01       1.0000000        
P   1
  1      3.9313001140E+01       1.0000000        
P   1
  1      1.8560511511E+01       1.0000000        
P   1
  1      8.7278598557E+00       1.0000000        
P   1
  1      4.1172476348E+00       1.0000000        
P   1
  1      1.9319740779E+00       1.0000000        
P   1
  1      9.0628559744E-01       1.0000000        
P   1
  1      4.2537088445E-01       1.0000000        
P   1
  1      2.0014403012E-01       1.0000000        
P   1
  1      9.4682925878E-02       1.0000000        
P   1
  1      4.6604956359E-02       1.0000000        
P   1
  1      2.6573021826E-02       1.0000000        
D   1
  1      1.4241291597E+00       1.0000000        
D   1
  1      9.0427956721E-01       1.0000000        
D   1
  1      5.1744476556E-01       1.0000000        
D   1
  1      3.2604856249E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: F
data:
FLUORINE
S   1
  1      1.7513812273E+05       1.0000000        
S   1
  1      9.1120127329E+04       1.0000000        
S   1
  1      3.9659287230E+04       1.0000000        
S   1
  1      1.6592721236E+04       1.0000000        
S   1
  1      6.8494210823E+03       1.0000000        
S   1
  1      2.8464329605E+03       1.0000000        
S   1
  1      1.1770005467E+03       1.0000000        
S   1
  1      4.8614552718E+02       1.0000000        
S   1
  1      2.0047439319E+02       1.0000000        
S   1
  1      8.2764326468E+01       1.0000000        
S   1
  1      3.4187391215E+01       1.0000000        
S   1
  1      1.3954752122E+01       1.0000000        
S   1
  1      5.7396406396E+00       1.0000000        
S   1
  1      2.3541545385E+00       1.0000000        
S   1
  1      9.6297718750E-01       1.0000000        
S   1
  1      3.9577503982E-01       1.0000000        
S   1
  1      1.6233561024E-01       1.0000000        
S   1
  1      6.6559765289E-02       1.0000000        
S   1
  1      2.7445740555E-02       1.0000000        
S   1
  1      1.1698882705E-02       1.0000000        
S   1
  1      5.9235456497E-03       1.0000000        
P   1
  1      1.3977475046E+02       1.0000000        
P   1
  1      8.0183058424E+01       1.0000000        
P   1
  1      3.9313001140E+01       1.0000000        
P   1
  1      1.8560511511E+01       1.0000000        
P   1
  1      8.7278598557E+00       1.0000000        
P   1
  1      4.1172476348E+00       1.0000000        
P   1
  1      1.9319740779E+00       1.0000000        
P   1
  1      9.0628559744E-01       1.0000000        
P   1
  1      4.2537088445E-01       1.0000000        
P   1
  1      2.0014403012E-01       1.0000000        
P   1
  1      9.4682925878E-02       1.0000000        
P   1
  1      4.6604956359E-02       1.0000000        
P   1
  1      2.6573021826E-02       1.0000000        
D   1
  1      1.4241291597E+00       1.0000000        
D   1
  1      9.0427956721E-01       1.0000000        
D   1
  1      5.1744476556E-01       1.0000000        
D   1
  1      3.2604856249E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: B
data:
BORON
S   1
  1      1.7513812273E+05       1.0000000        
S   1
  1      9.1120127329E+04       1.0000000        
S   1
  1      3.9659287230E+04       1.0000000        
S   1
  1      1.6592721236E+04       1.0000000        
S   1
  1      6.8494210823E+03       1.0000000        
S   1
  1      2.8464329605E+03       1.0000000        
S   1
  1      1.1770005467E+03       1.0000000        
S   1
  1      4.8614552718E+02       1.0000000        
S   1
  1      2.0047439319E+02       1.0000000        
S   1
  1      8.2764326468E+01       1.0000000        
S   1
  1      3.4187391215E+01       1.0000000        
S   1
  1      1.3954752122E+01       1.0000000        
S   1
  1      5.7396406396E+00       1.0000000        
S   1
  1      2.3541545385E+00       1.0000000        
S   1
  1      9.6297718750E-01       1.0000000        
S   1
  1      3.9577503982E-01       1.0000000        
S   1
  1      1.6233561024E-01       1.0000000        
S   1
  1      6.6559765289E-02       1.0000000        
S   1
  1      2.7445740555E-02       1.0000000        
S   1
  1      1.1698882705E-02       1.0000000        
S   1
  1      5.9235456497E-03       1.0000000        
P   1
  1      1.3977475046E+02       1.0000000        
P   1
  1      8.0183058424E+01       1.0000000        
P   1
  1      3.9313001140E+01       1.0000000        
P   1
  1      1.8560511511E+01       1.0000000        
P   1
  1      8.7278598557E+00       1.0000000        
P   1
  1      4.1172476348E+00       1.0000000        
P   1
  1      1.9319740779E+00       1.0000000        
P   1
  1      9.0628559744E-01       1.0000000        
P   1
  1      4.2537088445E-01       1.0000000        
P   1
  1      2.0014403012E-01       1.0000000        
P   1
  1      9.4682925878E-02       1.0000000        
P   1
  1      4.6604956359E-02       1.0000000        
P   1
  1      2.6573021826E-02       1.0000000        
D   1
  1      1.4241291597E+00       1.0000000        
D   1
  1      9.0427956721E-01       1.0000000        
D   1
  1      5.1744476556E-01       1.0000000        
D   1
  1      3.2604856249E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: O
data:
OXYGEN
S   1
  1      1.7513812273E+05       1.0000000        
S   1
  1      9.1120127329E+04       1.0000000        
S   1
  1      3.9659287230E+04       1.0000000        
S   1
  1      1.6592721236E+04       1.0000000        
S   1
  1      6.8494210823E+03       1.0000000        
S   1
  1      2.8464329605E+03       1.0000000        
S   1
  1      1.1770005467E+03       1.0000000        
S   1
  1      4.8614552718E+02       1.0000000        
S   1
  1      2.0047439319E+02       1.0000000        
S   1
  1      8.2764326468E+01       1.0000000        
S   1
  1      3.4187391215E+01       1.0000000        
S   1
  1      1.3954752122E+01       1.0000000        
S   1
  1      5.7396406396E+00       1.0000000        
S   1
  1      2.3541545385E+00       1.0000000        
S   1
  1      9.6297718750E-01       1.0000000        
S   1
  1      3.9577503982E-01       1.0000000        
S   1
  1      1.6233561024E-01       1.0000000        
S   1
  1      6.6559765289E-02       1.0000000        
S   1
  1      2.7445740555E-02       1.0000000        
S   1
  1      1.1698882705E-02       1.0000000        
S   1
  1      5.9235456497E-03       1.0000000        
P   1
  1      1.3977475046E+02       1.0000000        
P   1
  1      8.0183058424E+01       1.0000000        
P   1
  1      3.9313001140E+01       1.0000000        
P   1
  1      1.8560511511E+01       1.0000000        
P   1
  1      8.7278598557E+00       1.0000000        
P   1
  1      4.1172476348E+00       1.0000000        
P   1
  1      1.9319740779E+00       1.0000000        
P   1
  1      9.0628559744E-01       1.0000000        
P   1
  1      4.2537088445E-01       1.0000000        
P   1
  1      2.0014403012E-01       1.0000000        
P   1
  1      9.4682925878E-02       1.0000000        
P   1
  1      4.6604956359E-02       1.0000000        
P   1
  1      2.6573021826E-02       1.0000000        
D   1
  1      1.4241291597E+00       1.0000000        
D   1
  1      9.0427956721E-01       1.0000000        
D   1
  1      5.1744476556E-01       1.0000000        
D   1
  1      3.2604856249E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Mg
data:
MAGNESIUM
S   1
  1      4.2761341468E+05       1.0000000        
S   1
  1      2.2029777026E+05       1.0000000        
S   1
  1      9.6000442500E+04       1.0000000        
S   1
  1      4.0100930638E+04       1.0000000        
S   1
  1      1.6575348799E+04       1.0000000        
S   1
  1      6.8738212019E+03       1.0000000        
S   1
  1      2.8537744671E+03       1.0000000        
S   1
  1      1.1858713116E+03       1.0000000        
S   1
  1      4.8466323343E+02       1.0000000        
S   1
  1      2.0265755539E+02       1.0000000        
S   1
  1      8.2983306829E+01       1.0000000        
S   1
  1      3.4160007319E+01       1.0000000        
S   1
  1      1.4097221111E+01       1.0000000        
S   1
  1      5.7878169798E+00       1.0000000        
S   1
  1      2.3789223865E+00       1.0000000        
S   1
  1      9.7595142158E-01       1.0000000        
S   1
  1      4.0137298800E-01       1.0000000        
S   1
  1      1.6345871157E-01       1.0000000        
S   1
  1      6.6942310379E-02       1.0000000        
S   1
  1      2.7239054922E-02       1.0000000        
S   1
  1      1.1156969227E-02       1.0000000        
S   1
  1      4.5941968512E-03       1.0000000        
S   1
  1      1.9547738029E-03       1.0000000        
S   1
  1      9.9222110190E-04       1.0000000        
P   1
  1      3.0419304809E+02       1.0000000        
P   1
  1      1.7374954800E+02       1.0000000        
P   1
  1      8.5506994448E+01       1.0000000        
P   1
  1      4.0354450692E+01       1.0000000        
P   1
  1      1.9030048579E+01       1.0000000        
P   1
  1      8.9290569743E+00       1.0000000        
P   1
  1      4.2485762203E+00       1.0000000        
P   1
  1      1.9824286554E+00       1.0000000        
P   1
  1      9.4142276360E-01       1.0000000        
P   1
  1      4.4464440923E-01       1.0000000        
P   1
  1      2.1848435767E-01       1.0000000        
P   1
  1      1.2465923278E-01       1.0000000        
D   1
  1      9.4614947276E-02       1.0000000        
D   1
  1      6.2289551446E-02       1.0000000        
D   1
  1      4.1582854883E-02       1.0000000        
F   1
  1      4.8696752517E-02       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Na
data:
SODIUM
S   1
  1      4.2761341468E+05       1.0000000        
S   1
  1      2.2029777026E+05       1.0000000        
S   1
  1      9.6000442500E+04       1.0000000        
S   1
  1      4.0100930638E+04       1.0000000        
S   1
  1      1.6575348799E+04       1.0000000        
S   1
  1      6.8738212019E+03       1.0000000        
S   1
  1      2.8537744671E+03       1.0000000        
S   1
  1      1.1858713116E+03       1.0000000        
S   1
  1      4.8466323343E+02       1.0000000        
S   1
  1      2.0265755539E+02       1.0000000        
S   1
  1      8.2983306829E+01       1.0000000        
S   1
  1      3.4160007319E+01       1.0000000        
S   1
  1      1.4097221111E+01       1.0000000        
S   1
  1      5.7878169798E+00       1.0000000        
S   1
  1      2.3789223865E+00       1.0000000        
S   1
  1      9.7595142158E-01       1.0000000        
S   1
  1      4.0137298800E-01       1.0000000        
S   1
  1      1.6345871157E-01       1.0000000        
S   1
  1      6.6942310379E-02       1.0000000        
S   1
  1      2.7239054922E-02       1.0000000        
S   1
  1      1.1156969227E-02       1.0000000        
S   1
  1      4.5941968512E-03       1.0000000        
S   1
  1      1.9547738029E-03       1.0000000        
S   1
  1      9.9222110190E-04       1.0000000        
P   1
  1      3.0419304809E+02       1.0000000        
P   1
  1      1.7374954800E+02       1.0000000        
P   1
  1      8.5506994448E+01       1.0000000        
P   1
  1      4.0354450692E+01       1.0000000        
P   1
  1      1.9030048579E+01       1.0000000        
P   1
  1      8.9290569743E+00       1.0000000        
P   1
  1      4.2485762203E+00       1.0000000        
P   1
  1      1.9824286554E+00       1.0000000        
P   1
  1      9.4142276360E-01       1.0000000        
P   1
  1      4.4464440923E-01       1.0000000        
P   1
  1      2.1848435767E-01       1.0000000        
P   1
  1      1.2465923278E-01       1.0000000        
D   1
  1      9.4614947276E-02       1.0000000        
D   1
  1      6.2289551446E-02       1.0000000        
D   1
  1      4.1582854883E-02       1.0000000        
F   1
  1      4.8696752517E-02       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Ar
data:
ARGON
S   1
  1      4.2983781114E+05       1.0000000        
S   1
  1      2.2185757351E+05       1.0000000        
S   1
  1      9.6394265169E+04       1.0000000        
S   1
  1      4.0193673201E+04       1.0000000        
S   1
  1      1.6758953627E+04       1.0000000        
S   1
  1      6.9470538360E+03       1.0000000        
S   1
  1      2.8678456302E+03       1.0000000        
S   1
  1      1.1848161021E+03       1.0000000        
S   1
  1      4.8879244991E+02       1.0000000        
S   1
  1      2.0142024599E+02       1.0000000        
S   1
  1      8.2658639984E+01       1.0000000        
S   1
  1      3.4119272365E+01       1.0000000        
S   1
  1      1.3968188069E+01       1.0000000        
S   1
  1      5.7314971132E+00       1.0000000        
S   1
  1      2.3623566467E+00       1.0000000        
S   1
  1      9.7245247135E-01       1.0000000        
S   1
  1      3.9774565818E-01       1.0000000        
S   1
  1      1.6373605598E-01       1.0000000        
S   1
  1      6.6930148922E-02       1.0000000        
S   1
  1      2.7466017841E-02       1.0000000        
S   1
  1      1.1717815752E-02       1.0000000        
S   1
  1      5.9507041069E-03       1.0000000        
P   1
  1      6.4913573353E+02       1.0000000        
P   1
  1      3.7201356208E+02       1.0000000        
P   1
  1      1.8191869318E+02       1.0000000        
P   1
  1      8.6776458086E+01       1.0000000        
P   1
  1      4.0784714747E+01       1.0000000        
P   1
  1      1.9105284146E+01       1.0000000        
P   1
  1      8.9838658416E+00       1.0000000        
P   1
  1      4.2162590037E+00       1.0000000        
P   1
  1      1.9752726111E+00       1.0000000        
P   1
  1      9.3142844721E-01       1.0000000        
P   1
  1      4.3342550474E-01       1.0000000        
P   1
  1      2.0412340634E-01       1.0000000        
P   1
  1      9.4306264882E-02       1.0000000        
P   1
  1      4.4630617907E-02       1.0000000        
P   1
  1      2.1822166815E-02       1.0000000        
P   1
  1      1.2389207285E-02       1.0000000        
D   1
  1      9.0947927352E-01       1.0000000        
D   1
  1      5.6627232030E-01       1.0000000        
D   1
  1      3.1088097080E-01       1.0000000        
D   1
  1      1.6927277306E-01       1.0000000        
D   1
  1      1.0503142740E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000        
G   1
  1      2.5118864315E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: P
data:
PHOSPHOROUS
S   1
  1      4.2983781114E+05       1.0000000        
S   1
  1      2.2185757351E+05       1.0000000        
S   1
  1      9.6394265169E+04       1.0000000        
S   1
  1      4.0193673201E+04       1.0000000        
S   1
  1      1.6758953627E+04       1.0000000        
S   1
  1      6.9470538360E+03       1.0000000        
S   1
  1      2.8678456302E+03       1.0000000        
S   1
  1      1.1848161021E+03       1.0000000        
S   1
  1      4.8879244991E+02       1.0000000        
S   1
  1      2.0142024599E+02       1.0000000        
S   1
  1      8.2658639984E+01       1.0000000        
S   1
  1      3.4119272365E+01       1.0000000        
S   1
  1      1.3968188069E+01       1.0000000        
S   1
  1      5.7314971132E+00       1.0000000        
S   1
  1      2.3623566467E+00       1.0000000        
S   1
  1      9.7245247135E-01       1.0000000        
S   1
  1      3.9774565818E-01       1.0000000        
S   1
  1      1.6373605598E-01       1.0000000        
S   1
  1      6.6930148922E-02       1.0000000        
S   1
  1      2.7466017841E-02       1.0000000        
S   1
  1      1.1717815752E-02       1.0000000        
S   1
  1      5.9507041069E-03       1.0000000        
P   1
  1      6.4913573353E+02       1.0000000        
P   1
  1      3.7201356208E+02       1.0000000        
P   1
  1      1.8191869318E+02       1.0000000        
P   1
  1      8.6776458086E+01       1.0000000        
P   1
  1      4.0784714747E+01       1.0000000        
P   1
  1      1.9105284146E+01       1.0000000        
P   1
  1      8.9838658416E+00       1.0000000        
P   1
  1      4.2162590037E+00       1.0000000        
P   1
  1      1.9752726111E+00       1.0000000        
P   1
  1      9.3142844721E-01       1.0000000        
P   1
  1      4.3342550474E-01       1.0000000        
P   1
  1      2.0412340634E-01       1.0000000        
P   1
  1      9.4306264882E-02       1.0000000        
P   1
  1      4.4630617907E-02       1.0000000        
P   1
  1      2.1822166815E-02       1.0000000        
P   1
  1      1.2389207285E-02       1.0000000        
D   1
  1      9.0947927352E-01       1.0000000        
D   1
  1      5.6627232030E-01       1.0000000        
D   1
  1      3.1088097080E-01       1.0000000        
D   1
  1      1.6927277306E-01       1.0000000        
D   1
  1      1.0503142740E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000        
G   1
  1      2.5118864315E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Cl
data:
CHLORINE
S   1
  1      4.2983781114E+05       1.0000000        
S   1
  1      2.2185757351E+05       1.0000000        
S   1
  1      9.6394265169E+04       1.0000000        
S   1
  1      4.0193673201E+04       1.0000000        
S   1
  1      1.6758953627E+04       1.0000000        
S   1
  1      6.9470538360E+03       1.0000000        
S   1
  1      2.8678456302E+03       1.0000000        
S   1
  1      1.1848161021E+03       1.0000000        
S   1
  1      4.8879244991E+02       1.0000000        
S   1
  1      2.0142024599E+02       1.0000000        
S   1
  1      8.2658639984E+01       1.0000000        
S   1
  1      3.4119272365E+01       1.0000000        
S   1
  1      1.3968188069E+01       1.0000000        
S   1
  1      5.7314971132E+00       1.0000000        
S   1
  1      2.3623566467E+00       1.0000000        
S   1
  1      9.7245247135E-01       1.0000000        
S   1
  1      3.9774565818E-01       1.0000000        
S   1
  1      1.6373605598E-01       1.0000000        
S   1
  1      6.6930148922E-02       1.0000000        
S   1
  1      2.7466017841E-02       1.0000000        
S   1
  1      1.1717815752E-02       1.0000000        
S   1
  1      5.9507041069E-03       1.0000000        
P   1
  1      6.4913573353E+02       1.0000000        
P   1
  1      3.7201356208E+02       1.0000000        
P   1
  1      1.8191869318E+02       1.0000000        
P   1
  1      8.6776458086E+01       1.0000000        
P   1
  1      4.0784714747E+01       1.0000000        
P   1
  1      1.9105284146E+01       1.0000000        
P   1
  1      8.9838658416E+00       1.0000000        
P   1
  1      4.2162590037E+00       1.0000000        
P   1
  1      1.9752726111E+00       1.0000000        
P   1
  1      9.3142844721E-01       1.0000000        
P   1
  1      4.3342550474E-01       1.0000000        
P   1
  1      2.0412340634E-01       1.0000000        
P   1
  1      9.4306264882E-02       1.0000000        
P   1
  1      4.4630617907E-02       1.0000000        
P   1
  1      2.1822166815E-02       1.0000000        
P   1
  1      1.2389207285E-02       1.0000000        
D   1
  1      9.0947927352E-01       1.0000000        
D   1
  1      5.6627232030E-01       1.0000000        
D   1
  1      3.1088097080E-01       1.0000000        
D   1
  1      1.6927277306E-01       1.0000000        
D   1
  1      1.0503142740E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000        
G   1
  1      2.5118864315E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Al
data:
ALUMINUM
S   1
  1      4.2983781114E+05       1.0000000        
S   1
  1      2.2185757351E+05       1.0000000        
S   1
  1      9.6394265169E+04       1.0000000        
S   1
  1      4.0193673201E+04       1.0000000        
S   1
  1      1.6758953627E+04       1.0000000        
S   1
  1      6.9470538360E+03       1.0000000        
S   1
  1      2.8678456302E+03       1.0000000        
S   1
  1      1.1848161021E+03       1.0000000        
S   1
  1      4.8879244991E+02       1.0000000        
S   1
  1      2.0142024599E+02       1.0000000        
S   1
  1      8.2658639984E+01       1.0000000        
S   1
  1      3.4119272365E+01       1.0000000        
S   1
  1      1.3968188069E+01       1.0000000        
S   1
  1      5.7314971132E+00       1.0000000        
S   1
  1      2.3623566467E+00       1.0000000        
S   1
  1      9.7245247135E-01       1.0000000        
S   1
  1      3.9774565818E-01       1.0000000        
S   1
  1      1.6373605598E-01       1.0000000        
S   1
  1      6.6930148922E-02       1.0000000        
S   1
  1      2.7466017841E-02       1.0000000        
S   1
  1      1.1717815752E-02       1.0000000        
S   1
  1      5.9507041069E-03       1.0000000        
P   1
  1      6.4913573353E+02       1.0000000        
P   1
  1      3.7201356208E+02       1.0000000        
P   1
  1      1.8191869318E+02       1.0000000        
P   1
  1      8.6776458086E+01       1.0000000        
P   1
  1      4.0784714747E+01       1.0000000        
P   1
  1      1.9105284146E+01       1.0000000        
P   1
  1      8.9838658416E+00       1.0000000        
P   1
  1      4.2162590037E+00       1.0000000        
P   1
  1      1.9752726111E+00       1.0000000        
P   1
  1      9.3142844721E-01       1.0000000        
P   1
  1      4.3342550474E-01       1.0000000        
P   1
  1      2.0412340634E-01       1.0000000        
P   1
  1      9.4306264882E-02       1.0000000        
P   1
  1      4.4630617907E-02       1.0000000        
P   1
  1      2.1822166815E-02       1.0000000        
P   1
  1      1.2389207285E-02       1.0000000        
D   1
  1      9.0947927352E-01       1.0000000        
D   1
  1      5.6627232030E-01       1.0000000        
D   1
  1      3.1088097080E-01       1.0000000        
D   1
  1      1.6927277306E-01       1.0000000        
D   1
  1      1.0503142740E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000        
G   1
  1      2.5118864315E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: Si
data:
SILICON
S   1
  1      4.2983781114E+05       1.0000000        
S   1
  1      2.2185757351E+05       1.0000000        
S   1
  1      9.6394265169E+04       1.0000000        
S   1
  1      4.0193673201E+04       1.0000000        
S   1
  1      1.6758953627E+04       1.0000000        
S   1
  1      6.9470538360E+03       1.0000000        
S   1
  1      2.8678456302E+03       1.0000000        
S   1
  1      1.1848161021E+03       1.0000000        
S   1
  1      4.8879244991E+02       1.0000000        
S   1
  1      2.0142024599E+02       1.0000000        
S   1
  1      8.2658639984E+01       1.0000000        
S   1
  1      3.4119272365E+01       1.0000000        
S   1
  1      1.3968188069E+01       1.0000000        
S   1
  1      5.7314971132E+00       1.0000000        
S   1
  1      2.3623566467E+00       1.0000000        
S   1
  1      9.7245247135E-01       1.0000000        
S   1
  1      3.9774565818E-01       1.0000000        
S   1
  1      1.6373605598E-01       1.0000000        
S   1
  1      6.6930148922E-02       1.0000000        
S   1
  1      2.7466017841E-02       1.0000000        
S   1
  1      1.1717815752E-02       1.0000000        
S   1
  1      5.9507041069E-03       1.0000000        
P   1
  1      6.4913573353E+02       1.0000000        
P   1
  1      3.7201356208E+02       1.0000000        
P   1
  1      1.8191869318E+02       1.0000000        
P   1
  1      8.6776458086E+01       1.0000000        
P   1
  1      4.0784714747E+01       1.0000000        
P   1
  1      1.9105284146E+01       1.0000000        
P   1
  1      8.9838658416E+00       1.0000000        
P   1
  1      4.2162590037E+00       1.0000000        
P   1
  1      1.9752726111E+00       1.0000000        
P   1
  1      9.3142844721E-01       1.0000000        
P   1
  1      4.3342550474E-01       1.0000000        
P   1
  1      2.0412340634E-01       1.0000000        
P   1
  1      9.4306264882E-02       1.0000000        
P   1
  1      4.4630617907E-02       1.0000000        
P   1
  1      2.1822166815E-02       1.0000000        
P   1
  1      1.2389207285E-02       1.0000000        
D   1
  1      9.0947927352E-01       1.0000000        
D   1
  1      5.6627232030E-01       1.0000000        
D   1
  1      3.1088097080E-01       1.0000000        
D   1
  1      1.6927277306E-01       1.0000000        
D   1
  1      1.0503142740E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000        
G   1
  1      2.5118864315E-01       1.0000000        


name: un-pcemd-ref
description: The un-pcemd-ref basis set
elt: S
data:
SULFUR
S   1
  1      4.2983781114E+05       1.0000000        
S   1
  1      2.2185757351E+05       1.0000000        
S   1
  1      9.6394265169E+04       1.0000000        
S   1
  1      4.0193673201E+04       1.0000000        
S   1
  1      1.6758953627E+04       1.0000000        
S   1
  1      6.9470538360E+03       1.0000000        
S   1
  1      2.8678456302E+03       1.0000000        
S   1
  1      1.1848161021E+03       1.0000000        
S   1
  1      4.8879244991E+02       1.0000000        
S   1
  1      2.0142024599E+02       1.0000000        
S   1
  1      8.2658639984E+01       1.0000000        
S   1
  1      3.4119272365E+01       1.0000000        
S   1
  1      1.3968188069E+01       1.0000000        
S   1
  1      5.7314971132E+00       1.0000000        
S   1
  1      2.3623566467E+00       1.0000000        
S   1
  1      9.7245247135E-01       1.0000000        
S   1
  1      3.9774565818E-01       1.0000000        
S   1
  1      1.6373605598E-01       1.0000000        
S   1
  1      6.6930148922E-02       1.0000000        
S   1
  1      2.7466017841E-02       1.0000000        
S   1
  1      1.1717815752E-02       1.0000000        
S   1
  1      5.9507041069E-03       1.0000000        
P   1
  1      6.4913573353E+02       1.0000000        
P   1
  1      3.7201356208E+02       1.0000000        
P   1
  1      1.8191869318E+02       1.0000000        
P   1
  1      8.6776458086E+01       1.0000000        
P   1
  1      4.0784714747E+01       1.0000000        
P   1
  1      1.9105284146E+01       1.0000000        
P   1
  1      8.9838658416E+00       1.0000000        
P   1
  1      4.2162590037E+00       1.0000000        
P   1
  1      1.9752726111E+00       1.0000000        
P   1
  1      9.3142844721E-01       1.0000000        
P   1
  1      4.3342550474E-01       1.0000000        
P   1
  1      2.0412340634E-01       1.0000000        
P   1
  1      9.4306264882E-02       1.0000000        
P   1
  1      4.4630617907E-02       1.0000000        
P   1
  1      2.1822166815E-02       1.0000000        
P   1
  1      1.2389207285E-02       1.0000000        
D   1
  1      9.0947927352E-01       1.0000000        
D   1
  1      5.6627232030E-01       1.0000000        
D   1
  1      3.1088097080E-01       1.0000000        
D   1
  1      1.6927277306E-01       1.0000000        
D   1
  1      1.0503142740E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000        
G   1
  1      2.5118864315E-01       1.0000000        


