# all_value

name: pcS-3
description: N/A
elt: F
data:
FLUORINE
S   9
  1      0.215659E+06           0.492610E-04     
  2      0.322991E+05           0.385931E-03     
  3      0.735044E+04           0.200245E-02     
  4      0.208182E+04           0.852627E-02     
  5      0.679087E+03           0.297615E-01     
  6      0.245100E+03           0.932780E-01     
  7      0.954615E+02           0.227793E+00     
  8      0.394224E+02           0.445779E+00     
  9      0.170182E+02           0.500000E+00     
S   9
  1      0.322991E+05           0.141360E-05     
  2      0.735044E+04          -0.479530E-05     
  3      0.208182E+04           0.269255E-04     
  4      0.679087E+03          -0.338123E-03     
  5      0.245100E+03          -0.124306E-02     
  6      0.954615E+02          -0.145129E-01     
  7      0.394224E+02          -0.690386E-01     
  8      0.170182E+02          -0.210270E+00     
  9      0.745246E+01          -0.500000E+00     
S   1
  1      0.313290E+01           1.0000000        
S   1
  1      0.133946E+01           1.0000000        
S   1
  1      0.542183E+00           1.0000000        
S   1
  1      0.209037E+00           1.0000000        
P   3
  1      0.228290E+04           0.290267E-02     
  2      0.351216E+03           0.568020E-01     
  3      0.829778E+02           0.500000E+00     
P   1
  1      0.262671E+02           1.0000000        
P   1
  1      0.993065E+01           1.0000000        
P   1
  1      0.406700E+01           1.0000000        
P   1
  1      0.172462E+01           1.0000000        
P   1
  1      0.719760E+00           1.0000000        
P   1
  1      0.286244E+00           1.0000000        
P   1
  1      0.107890E+00           1.0000000        
D   1
  1      0.840000E+01           1.0000000        
D   1
  1      0.260000E+01           1.0000000        
D   1
  1      0.100000E+01           1.0000000        
D   1
  1      0.350000E+00           1.0000000        
F   1
  1      0.260000E+01           1.0000000        
F   1
  1      0.105000E+01           1.0000000        
G   1
  1      0.170000E+01           1.0000000


name: pcS-3
description: N/A
elt: Ne
data:
NEON
S   9
  1      0.270664E+06           0.511788E-04     
  2      0.405414E+05           0.400998E-03     
  3      0.922653E+04           0.207984E-02     
  4      0.261317E+04           0.886028E-02     
  5      0.852388E+03           0.309116E-01     
  6      0.307607E+03           0.970790E-01     
  7      0.119758E+03           0.237094E+00     
  8      0.494369E+02           0.467681E+00     
  9      0.213685E+02           0.500000E+00     
S   9
  1      0.405414E+05           0.168090E-05     
  2      0.922653E+04          -0.549250E-05     
  3      0.261317E+04           0.353842E-04     
  4      0.852388E+03          -0.366041E-03     
  5      0.307607E+03          -0.112353E-02     
  6      0.119758E+03          -0.154947E-01     
  7      0.494369E+02          -0.681049E-01     
  8      0.213685E+02          -0.230299E+00     
  9      0.939206E+01          -0.500000E+00     
S   1
  1      0.398322E+01           1.0000000        
S   1
  1      0.168867E+01           1.0000000        
S   1
  1      0.680305E+00           1.0000000        
S   1
  1      0.260241E+00           1.0000000        
P   3
  1      0.288244E+04           0.289029E-02     
  2      0.443452E+03           0.561890E-01     
  3      0.104816E+03           0.500000E+00     
P   1
  1      0.332550E+02           1.0000000        
P   1
  1      0.125479E+02           1.0000000        
P   1
  1      0.514211E+01           1.0000000        
P   1
  1      0.217829E+01           1.0000000        
P   1
  1      0.906445E+00           1.0000000        
P   1
  1      0.359944E+00           1.0000000        
P   1
  1      0.135148E+00           1.0000000        
D   1
  1      0.100000E+02           1.0000000        
D   1
  1      0.300000E+01           1.0000000        
D   1
  1      0.115000E+01           1.0000000        
D   1
  1      0.400000E+00           1.0000000        
F   1
  1      0.280000E+01           1.0000000        
F   1
  1      0.115000E+01           1.0000000        
G   1
  1      0.180000E+01           1.0000000


name: pcS-3
description: N/A
elt: Na
data:
SODIUM
S   11
  1      0.421841E+06           0.263943E-04     
  2      0.631884E+05           0.205760E-03     
  3      0.143813E+05           0.107634E-02     
  4      0.407369E+04           0.455358E-02     
  5      0.132912E+04           0.162515E-01     
  6      0.479986E+03           0.515092E-01     
  7      0.187364E+03           0.137364E+00     
  8      0.777698E+02           0.307608E+00     
  9      0.337986E+02           0.500000E+00     
 10      0.151269E+02           0.453083E+00     
 11      0.693197E+01           0.178567E+00     
S   11
  1      0.631884E+05          -0.600130E-05     
  2      0.143813E+05           0.144156E-04     
  3      0.407369E+04          -0.204884E-03     
  4      0.132912E+04           0.384832E-03     
  5      0.479986E+03          -0.406338E-02     
  6      0.187364E+03           0.209224E-02     
  7      0.777698E+02          -0.680934E-01     
  8      0.337986E+02          -0.287909E-01     
  9      0.151269E+02          -0.500000E+00     
 10      0.693197E+01           0.394745E+00     
 11      0.276505E+01          -0.456828E+00     
S   10
  1      0.407369E+04          -0.191590E-05     
  2      0.132912E+04          -0.225021E-04     
  3      0.479986E+03          -0.202930E-03     
  4      0.187364E+03          -0.131116E-02     
  5      0.777698E+02          -0.828269E-02     
  6      0.337986E+02          -0.260568E-01     
  7      0.151269E+02          -0.753114E-01     
  8      0.693197E+01          -0.190045E-01     
  9      0.276505E+01           0.304794E+00     
 10      0.113973E+01           0.500000E+00     
S   1
  1      0.452130E+00           1.0000000        
S   1
  1      0.826028E-01           1.0000000        
S   1
  1      0.415100E-01           1.0000000        
S   1
  1      0.186176E-01           1.0000000        
P   6
  1      0.751948E+04           0.394744E-04     
  2      0.115684E+04           0.922853E-03     
  3      0.274423E+03           0.743951E-02     
  4      0.891393E+02           0.443972E-01     
  5      0.332587E+02           0.178439E+00     
  6      0.135574E+02           0.500000E+00     
P   1
  1      0.596244E+01           1.0000000        
P   1
  1      0.268243E+01           1.0000000        
P   1
  1      0.119711E+01           1.0000000        
P   1
  1      0.517889E+00           1.0000000        
P   1
  1      0.213312E+00           1.0000000        
P   1
  1      0.100000E+00           1.0000000        
P   1
  1      0.370000E-01           1.0000000        
D   1
  1      0.910000E+00           1.0000000        
D   1
  1      0.190000E+00           1.0000000        
F   1
  1      0.270000E+00           1.0000000


name: pcS-3
description: N/A
elt: Mg
data:
MAGNESIUM
S   11
  1      0.564794E+06           0.186218E-04     
  2      0.845886E+05           0.146004E-03     
  3      0.192509E+05           0.757901E-03     
  4      0.545280E+04           0.324426E-02     
  5      0.177909E+04           0.114570E-01     
  6      0.642576E+03           0.372382E-01     
  7      0.250920E+03           0.992336E-01     
  8      0.104191E+03           0.239942E+00     
  9      0.452753E+02           0.407188E+00     
 10      0.203178E+02           0.500000E+00     
 11      0.933193E+01           0.151997E+00     
S   11
  1      0.845886E+05           0.400190E-05     
  2      0.192509E+05          -0.881650E-05     
  3      0.545280E+04           0.139030E-03     
  4      0.177909E+04          -0.206575E-03     
  5      0.642576E+03           0.304001E-02     
  6      0.250920E+03           0.107581E-02     
  7      0.104191E+03           0.602944E-01     
  8      0.452753E+02           0.780008E-01     
  9      0.203178E+02           0.500000E+00     
 10      0.933193E+01          -0.127381E+00     
 11      0.369776E+01          -0.575785E-01     
S   10
  1      0.545280E+04           0.142970E-05     
  2      0.177909E+04           0.169712E-04     
  3      0.642576E+03           0.152910E-03     
  4      0.250920E+03           0.100407E-02     
  5      0.104191E+03           0.639593E-02     
  6      0.452753E+02           0.222122E-01     
  7      0.203178E+02           0.648542E-01     
  8      0.933193E+01           0.412665E-01     
  9      0.369776E+01          -0.260716E+00     
 10      0.157246E+01          -0.500000E+00     
S   1
  1      0.649493E+00           1.0000000        
S   1
  1      0.159014E+00           1.0000000        
S   1
  1      0.716654E-01           1.0000000        
S   1
  1      0.299418E-01           1.0000000        
P   6
  1      0.985970E+04           0.380781E-04     
  2      0.151688E+04           0.871451E-03     
  3      0.359786E+03           0.718883E-02     
  4      0.116761E+03           0.426594E-01     
  5      0.435798E+02           0.175762E+00     
  6      0.179261E+02           0.500000E+00     
P   1
  1      0.793564E+01           1.0000000        
P   1
  1      0.360378E+01           1.0000000        
P   1
  1      0.164413E+01           1.0000000        
P   1
  1      0.741124E+00           1.0000000        
P   1
  1      0.316660E+00           1.0000000        
P   1
  1      0.149000E+00           1.0000000        
P   1
  1      0.550000E-01           1.0000000        
D   1
  1      0.120000E+01           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.330000E+00           1.0000000


name: pcS-3
description: N/A
elt: Al
data:
ALUMINUM
S   11
  1      0.721495E+06           0.233613E-04     
  2      0.108090E+06           0.180814E-03     
  3      0.246053E+05           0.955473E-03     
  4      0.697136E+04           0.398823E-02     
  5      0.227488E+04           0.145064E-01     
  6      0.821595E+03           0.451816E-01     
  7      0.320775E+03           0.125711E+00     
  8      0.133150E+03           0.276307E+00     
  9      0.578165E+02           0.500000E+00     
 10      0.259536E+02           0.412395E+00     
 11      0.118993E+02           0.305239E+00     
S   11
  1      0.108090E+06          -0.368540E-05     
  2      0.246053E+05           0.884710E-05     
  3      0.697136E+04          -0.128985E-03     
  4      0.227488E+04           0.205361E-03     
  5      0.821595E+03          -0.282267E-02     
  6      0.320775E+03          -0.884088E-03     
  7      0.133150E+03          -0.564498E-01     
  8      0.578165E+02          -0.799476E-01     
  9      0.259536E+02          -0.500000E+00     
 10      0.118993E+02           0.605296E-01     
 11      0.474985E+01          -0.834526E-01     
S   10
  1      0.697136E+04           0.117510E-05     
  2      0.227488E+04           0.140602E-04     
  3      0.821595E+03           0.126336E-03     
  4      0.320775E+03           0.844533E-03     
  5      0.133150E+03           0.537973E-02     
  6      0.578165E+02           0.200469E-01     
  7      0.259536E+02           0.593474E-01     
  8      0.118993E+02           0.527704E-01     
  9      0.474985E+01          -0.226692E+00     
 10      0.206880E+01          -0.500000E+00     
S   1
  1      0.877791E+00           1.0000000        
S   1
  1      0.249508E+00           1.0000000        
S   1
  1      0.114618E+00           1.0000000        
S   1
  1      0.481927E-01           1.0000000        
P   6
  1      0.131283E+05           0.149157E-03     
  2      0.201974E+04           0.193037E-02     
  3      0.478633E+03           0.250630E-01     
  4      0.155019E+03           0.822927E-01     
  5      0.579042E+02           0.500000E+00     
  6      0.241400E+02          -0.129808E+00     
P   6
  1      0.201974E+04           0.143969E-03     
  2      0.478633E+03           0.329730E-03     
  3      0.155019E+03           0.868929E-02     
  4      0.579042E+02           0.211248E-01     
  5      0.241400E+02           0.222237E+00     
  6      0.107894E+02           0.500000E+00     
P   1
  1      0.497298E+01           1.0000000        
P   1
  1      0.231607E+01           1.0000000        
P   1
  1      0.107906E+01           1.0000000        
P   1
  1      0.491590E+00           1.0000000        
P   1
  1      0.204824E+00           1.0000000        
P   1
  1      0.792561E-01           1.0000000        
P   1
  1      0.289276E-01           1.0000000        
D   1
  1      0.560000E+01           1.0000000        
D   1
  1      0.147000E+01           1.0000000        
D   1
  1      0.440000E+00           1.0000000        
D   1
  1      0.160000E+00           1.0000000        
F   1
  1      0.960000E+00           1.0000000        
F   1
  1      0.320000E+00           1.0000000        
G   1
  1      0.580000E+00           1.0000000


name: pcS-3
description: N/A
elt: Si
data:
SILICON
S   11
  1      0.877445E+06           0.224711E-04     
  2      0.131448E+06           0.174160E-03     
  3      0.299289E+05           0.918117E-03     
  4      0.848016E+04           0.384477E-02     
  5      0.276723E+04           0.139440E-01     
  6      0.999396E+03           0.437430E-01     
  7      0.390144E+03           0.121738E+00     
  8      0.161910E+03           0.273867E+00     
  9      0.703042E+02           0.500000E+00     
 10      0.315787E+02           0.460234E+00     
 11      0.144804E+02           0.313266E+00     
S   11
  1      0.131448E+06          -0.313810E-05     
  2      0.299289E+05           0.751760E-05     
  3      0.848016E+04          -0.110946E-03     
  4      0.276723E+04           0.163264E-03     
  5      0.999396E+03          -0.251963E-02     
  6      0.390144E+03          -0.155500E-02     
  7      0.161910E+03          -0.533043E-01     
  8      0.703042E+02          -0.902218E-01     
  9      0.315787E+02          -0.500000E+00     
 10      0.144804E+02          -0.873051E-04     
 11      0.583828E+01          -0.130065E+00     
S   10
  1      0.848016E+04          -0.108210E-05     
  2      0.276723E+04          -0.129459E-04     
  3      0.999396E+03          -0.116268E-03     
  4      0.390144E+03          -0.787130E-03     
  5      0.161910E+03          -0.499726E-02     
  6      0.703042E+02          -0.193277E-01     
  7      0.315787E+02          -0.579310E-01     
  8      0.144804E+02          -0.581071E-01     
  9      0.583828E+01           0.207481E+00     
 10      0.259465E+01           0.500000E+00     
S   1
  1      0.112498E+01           1.0000000        
S   1
  1      0.353562E+00           1.0000000        
S   1
  1      0.161600E+00           1.0000000        
S   1
  1      0.672611E-01           1.0000000        
P   6
  1      0.149703E+05          -0.387531E-04     
  2      0.230312E+04          -0.134854E-02     
  3      0.545845E+03          -0.800285E-02     
  4      0.177054E+03          -0.618199E-01     
  5      0.663775E+02          -0.167117E+00     
  6      0.276011E+02          -0.500000E+00     
P   6
  1      0.230312E+04          -0.192467E-03     
  2      0.545845E+03          -0.265519E-03     
  3      0.177054E+03          -0.739838E-02     
  4      0.663775E+02           0.545032E-02     
  5      0.276011E+02           0.128877E-01     
  6      0.123430E+02           0.500000E+00     
P   1
  1      0.568939E+01           1.0000000        
P   1
  1      0.264060E+01           1.0000000        
P   1
  1      0.120944E+01           1.0000000        
P   1
  1      0.520126E+00           1.0000000        
P   1
  1      0.232558E+00           1.0000000        
P   1
  1      0.981411E-01           1.0000000        
P   1
  1      0.383603E-01           1.0000000        
D   1
  1      0.666000E+01           1.0000000        
D   1
  1      0.175000E+01           1.0000000        
D   1
  1      0.520000E+00           1.0000000        
D   1
  1      0.190000E+00           1.0000000        
F   1
  1      0.115000E+01           1.0000000        
F   1
  1      0.380000E+00           1.0000000        
G   1
  1      0.650000E+00           1.0000000


name: pcS-3
description: N/A
elt: P
data:
PHOSPHORUS
S   11
  1      0.106369E+07           0.208566E-04     
  2      0.160001E+06           0.160935E-03     
  3      0.365133E+05           0.845626E-03     
  4      0.103592E+05           0.354370E-02     
  5      0.338283E+04           0.128329E-01     
  6      0.122229E+04           0.404562E-01     
  7      0.477305E+03           0.113062E+00     
  8      0.198087E+03           0.260164E+00     
  9      0.859940E+02           0.486206E+00     
 10      0.386272E+02           0.500000E+00     
 11      0.176880E+02           0.331857E+00     
S   11
  1      0.160001E+06          -0.301870E-05     
  2      0.365133E+05           0.733550E-05     
  3      0.103592E+05          -0.106263E-03     
  4      0.338283E+04           0.159888E-03     
  5      0.122229E+04          -0.239691E-02     
  6      0.477305E+03          -0.141952E-02     
  7      0.198087E+03          -0.507104E-01     
  8      0.859940E+02          -0.901231E-01     
  9      0.386272E+02          -0.500000E+00     
 10      0.176880E+02          -0.487742E-01     
 11      0.725513E+01          -0.232238E+00     
S   9
  1      0.338283E+04          -0.114759E-04     
  2      0.122229E+04          -0.102469E-03     
  3      0.477305E+03          -0.703135E-03     
  4      0.198087E+03          -0.445288E-02     
  5      0.859940E+02          -0.180283E-01     
  6      0.386272E+02          -0.549625E-01     
  7      0.176880E+02          -0.652944E-01     
  8      0.725513E+01           0.178457E+00     
  9      0.326989E+01           0.500000E+00     
S   1
  1      0.143127E+01           1.0000000        
S   1
  1      0.470467E+00           1.0000000        
S   1
  1      0.212895E+00           1.0000000        
S   1
  1      0.877424E-01           1.0000000        
P   6
  1      0.179542E+05          -0.297963E-04     
  2      0.276218E+04          -0.120062E-02     
  3      0.654784E+03          -0.645186E-02     
  4      0.212581E+03          -0.555502E-01     
  5      0.798946E+02          -0.135970E+00     
  6      0.333660E+02          -0.500000E+00     
P   6
  1      0.276218E+04          -0.277223E-03     
  2      0.654784E+03          -0.418217E-03     
  3      0.212581E+03          -0.115172E-01     
  4      0.798946E+02           0.143125E-02     
  5      0.333660E+02          -0.446617E-01     
  6      0.149865E+02           0.500000E+00     
P   1
  1      0.696804E+01           1.0000000        
P   1
  1      0.328178E+01           1.0000000        
P   1
  1      0.152471E+01           1.0000000        
P   1
  1      0.669237E+00           1.0000000        
P   1
  1      0.299291E+00           1.0000000        
P   1
  1      0.128110E+00           1.0000000        
P   1
  1      0.509917E-01           1.0000000        
D   1
  1      0.771000E+01           1.0000000        
D   1
  1      0.203000E+01           1.0000000        
D   1
  1      0.600000E+00           1.0000000        
D   1
  1      0.220000E+00           1.0000000        
F   1
  1      0.134000E+01           1.0000000        
F   1
  1      0.450000E+00           1.0000000        
G   1
  1      0.720000E+00           1.0000000


name: pcS-3
description: N/A
elt: S
data:
SULFUR
S   11
  1      0.125044E+07           0.203141E-04     
  2      0.188077E+06           0.156759E-03     
  3      0.429181E+05           0.823798E-03     
  4      0.121790E+05           0.344991E-02     
  5      0.397874E+04           0.124920E-01     
  6      0.143814E+04           0.393840E-01     
  7      0.561672E+03           0.110355E+00     
  8      0.233113E+03           0.254921E+00     
  9      0.101218E+03           0.479720E+00     
 10      0.454926E+02           0.500000E+00     
 11      0.208467E+02           0.339619E+00     
S   11
  1      0.188077E+06          -0.257450E-05     
  2      0.429181E+05           0.630610E-05     
  3      0.121790E+05          -0.918794E-04     
  4      0.397874E+04           0.126450E-03     
  5      0.143814E+04          -0.216056E-02     
  6      0.561672E+03          -0.197726E-02     
  7      0.233113E+03          -0.483575E-01     
  8      0.101218E+03          -0.983565E-01     
  9      0.454926E+02          -0.500000E+00     
 10      0.208467E+02          -0.103291E+00     
 11      0.864916E+01          -0.238417E+00     
S   9
  1      0.397874E+04          -0.109650E-04     
  2      0.143814E+04          -0.978391E-04     
  3      0.561672E+03          -0.676833E-03     
  4      0.233113E+03          -0.427476E-02     
  5      0.101218E+03          -0.177007E-01     
  6      0.454926E+02          -0.546072E-01     
  7      0.208467E+02          -0.689008E-01     
  8      0.864916E+01           0.164035E+00     
  9      0.394558E+01           0.500000E+00     
S   1
  1      0.174718E+01           1.0000000        
S   1
  1      0.599527E+00           1.0000000        
S   1
  1      0.271272E+00           1.0000000        
S   1
  1      0.110799E+00           1.0000000        
P   6
  1      0.213577E+05           0.316137E-04     
  2      0.328580E+04           0.120835E-02     
  3      0.778928E+03           0.673616E-02     
  4      0.252759E+03           0.563166E-01     
  5      0.950996E+02           0.139992E+00     
  6      0.398205E+02           0.500000E+00     
P   6
  1      0.328580E+04           0.241680E-03     
  2      0.778928E+03           0.355206E-03     
  3      0.252759E+03           0.998300E-02     
  4      0.950996E+02          -0.374279E-02     
  5      0.398205E+02           0.251236E-01     
  6      0.179253E+02          -0.500000E+00     
P   1
  1      0.836991E+01           1.0000000        
P   1
  1      0.396547E+01           1.0000000        
P   1
  1      0.185395E+01           1.0000000        
P   1
  1      0.819709E+00           1.0000000        
P   1
  1      0.361168E+00           1.0000000        
P   1
  1      0.150974E+00           1.0000000        
P   1
  1      0.596196E-01           1.0000000        
D   1
  1      0.876000E+01           1.0000000        
D   1
  1      0.230000E+01           1.0000000        
D   1
  1      0.680000E+00           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.153000E+01           1.0000000        
F   1
  1      0.510000E+00           1.0000000        
G   1
  1      0.790000E+00           1.0000000


name: pcS-3
description: N/A
elt: Cl
data:
CHLORINE
S   11
  1      0.146109E+07           0.212141E-04     
  2      0.219593E+06           0.163763E-03     
  3      0.500849E+05           0.861956E-03     
  4      0.142058E+05           0.360734E-02     
  5      0.463895E+04           0.130871E-01     
  6      0.167635E+04           0.411727E-01     
  7      0.654515E+03           0.115687E+00     
  8      0.271526E+03           0.265840E+00     
  9      0.117867E+03           0.499684E+00     
 10      0.529838E+02           0.500000E+00     
 11      0.242916E+02           0.350634E+00     
S   11
  1      0.219593E+06           0.196850E-05     
  2      0.500849E+05          -0.485340E-05     
  3      0.142058E+05           0.723477E-04     
  4      0.463895E+04          -0.788552E-04     
  5      0.167635E+04           0.185232E-02     
  6      0.654515E+03           0.281361E-02     
  7      0.271526E+03           0.456709E-01     
  8      0.117867E+03           0.110765E+00     
  9      0.529838E+02           0.500000E+00     
 10      0.242916E+02           0.180727E+00     
 11      0.101841E+02           0.186311E+00     
S   9
  1      0.463895E+04           0.105237E-04     
  2      0.167635E+04           0.941850E-04     
  3      0.654515E+03           0.656250E-03     
  4      0.271526E+03           0.414268E-02     
  5      0.117867E+03           0.174947E-01     
  6      0.529838E+02           0.546244E-01     
  7      0.242916E+02           0.723392E-01     
  8      0.101841E+02          -0.151290E+00     
  9      0.469284E+01          -0.500000E+00     
S   1
  1      0.209736E+01           1.0000000        
S   1
  1      0.748674E+00           1.0000000        
S   1
  1      0.336135E+00           1.0000000        
S   1
  1      0.135729E+00           1.0000000        
P   6
  1      0.249969E+05           0.308605E-04     
  2      0.384568E+04           0.118236E-02     
  3      0.911226E+03           0.659700E-02     
  4      0.295641E+03           0.554922E-01     
  5      0.111403E+03           0.136093E+00     
  6      0.467674E+02           0.500000E+00     
P   6
  1      0.384568E+04           0.240272E-03     
  2      0.911226E+03           0.354577E-03     
  3      0.295641E+03           0.100392E-01     
  4      0.111403E+03          -0.413212E-02     
  5      0.467674E+02           0.274433E-01     
  6      0.211061E+02          -0.500000E+00     
P   1
  1      0.990577E+01           1.0000000        
P   1
  1      0.473468E+01           1.0000000        
P   1
  1      0.223643E+01           1.0000000        
P   1
  1      0.100711E+01           1.0000000        
P   1
  1      0.443689E+00           1.0000000        
P   1
  1      0.184880E+00           1.0000000        
P   1
  1      0.732679E-01           1.0000000        
D   1
  1      0.981000E+01           1.0000000        
D   1
  1      0.258000E+01           1.0000000        
D   1
  1      0.760000E+00           1.0000000        
D   1
  1      0.280000E+00           1.0000000        
F   1
  1      0.172000E+01           1.0000000        
F   1
  1      0.570000E+00           1.0000000        
G   1
  1      0.860000E+00           1.0000000


name: pcS-3
description: N/A
elt: Ar
data:
ARGON
S   11
  1      0.170216E+07           0.227354E-04     
  2      0.254909E+06           0.175972E-03     
  3      0.580115E+05           0.930637E-03     
  4      0.164313E+05           0.388498E-02     
  5      0.536050E+04           0.141535E-01     
  6      0.193540E+04           0.441689E-01     
  7      0.755086E+03           0.124090E+00     
  8      0.313082E+03           0.275511E+00     
  9      0.135883E+03           0.500000E+00     
 10      0.610919E+02           0.380851E+00     
 11      0.280236E+02           0.277256E+00     
S   11
  1      0.254909E+06           0.139530E-05     
  2      0.580115E+05          -0.272750E-05     
  3      0.164313E+05           0.528733E-04     
  4      0.536050E+04          -0.176953E-04     
  5      0.193540E+04           0.154066E-02     
  6      0.755086E+03           0.384249E-02     
  7      0.313082E+03           0.430505E-01     
  8      0.135883E+03           0.125307E+00     
  9      0.610919E+02           0.500000E+00     
 10      0.280236E+02           0.271692E+00     
 11      0.118596E+02           0.100794E+00     
S   9
  1      0.536050E+04           0.103656E-04     
  2      0.193540E+04           0.923587E-04     
  3      0.755086E+03           0.649761E-03     
  4      0.313082E+03           0.409307E-02     
  5      0.135883E+03           0.175757E-01     
  6      0.610919E+02           0.554651E-01     
  7      0.280236E+02           0.761615E-01     
  8      0.118596E+02          -0.140251E+00     
  9      0.551166E+01          -0.500000E+00     
S   1
  1      0.248217E+01           1.0000000        
S   1
  1      0.917608E+00           1.0000000        
S   1
  1      0.407031E+00           1.0000000        
S   1
  1      0.162384E+00           1.0000000        
P   6
  1      0.287006E+05           0.278996E-04     
  2      0.441547E+04           0.112211E-02     
  3      0.104630E+04           0.606360E-02     
  4      0.339536E+03           0.529912E-01     
  5      0.128103E+03           0.125221E+00     
  6      0.538230E+02           0.500000E+00     
P   6
  1      0.441547E+04          -0.265580E-03     
  2      0.104630E+04          -0.401532E-03     
  3      0.339536E+03          -0.113723E-01     
  4      0.128103E+03           0.294678E-02     
  5      0.538230E+02          -0.495016E-01     
  6      0.243068E+02           0.500000E+00     
P   1
  1      0.114402E+02           1.0000000        
P   1
  1      0.551320E+01           1.0000000        
P   1
  1      0.263306E+01           1.0000000        
P   1
  1      0.121091E+01           1.0000000        
P   1
  1      0.534114E+00           1.0000000        
P   1
  1      0.223141E+00           1.0000000        
P   1
  1      0.887920E-01           1.0000000        
D   1
  1      0.108600E+02           1.0000000        
D   1
  1      0.286000E+01           1.0000000        
D   1
  1      0.840000E+00           1.0000000        
D   1
  1      0.310000E+00           1.0000000        
F   1
  1      0.191000E+01           1.0000000        
F   1
  1      0.630000E+00           1.0000000        
G   1
  1      0.930000E+00           1.0000000


name: pcemd-3
description: N/A
elt: He
data:
HELIUM
S   7
  1      1.5925067600E+03       1.3471103233E-03 
  2      7.1943534400E+02       7.3091053470E-04 
  3      2.7544777600E+02       7.2363646950E-03 
  4      1.0231859800E+02       2.1181703147E-02 
  5      3.7606551300E+01       7.6184821465E-02 
  6      1.3866490800E+01       2.4533561952E-01 
  7      5.1169730200E+00       7.2556861418E-01 
S   1
  1      1.8891229400E+00       1.0000000        
S   1
  1      6.9326832100E-01       1.0000000        
S   1
  1      2.5621411200E-01       1.0000000        
S   1
  1      9.7729864700E-02       1.0000000        
S   1
  1      4.3944987400E-02       1.0000000        
P   1
  1      2.0338347274E+00       1.0000000


name: pcemd-3
description: N/A
elt: H
data:
HYDROGEN
S   7
  1      1.5925067600E+03       1.1362862812E-03 
  2      7.1943534400E+02       6.3658694472E-04 
  3      2.7544777600E+02       6.0833375315E-03 
  4      1.0231859800E+02       1.8237292609E-02 
  5      3.7606551300E+01       6.5646588372E-02 
  6      1.3866490800E+01       2.2505921623E-01 
  7      5.1169730200E+00       7.5351214127E-01 
S   1
  1      1.8891229400E+00       1.0000000        
S   1
  1      6.9326832100E-01       1.0000000        
S   1
  1      2.5621411200E-01       1.0000000        
S   1
  1      9.7729864700E-02       1.0000000        
S   1
  1      4.3944987400E-02       1.0000000        
P   1
  1      2.0338347274E+00       1.0000000


name: pcemd-3
description: N/A
elt: Be
data:
BERYLLIUM
S   11
  1      6.3443895500E+03       1.4295037618E-04 
  2      2.9351888400E+03       5.8327195001E-05 
  3      1.1471270900E+03       7.1558612005E-04 
  4      4.3336606600E+02       1.9887933882E-03 
  5      1.6323047400E+02       7.0636011740E-03 
  6      6.1267176900E+01       2.2838654146E-02 
  7      2.3082619700E+01       6.9870287590E-02 
  8      8.6927622900E+00       1.8492462689E-01 
  9      3.2593404800E+00       3.8652191260E-01 
 10      1.2342033500E+00       5.2846234660E-01 
 11      4.6519358500E-01      -9.6345534609E-02 
S   11
  1      6.3443895500E+03       2.2077475682E-04 
  2      2.9351888400E+03       8.8928724931E-05 
  3      1.1471270900E+03       1.1057877220E-03 
  4      4.3336606600E+02       3.0518515915E-03 
  5      1.6323047400E+02       1.0842432382E-02 
  6      6.1267176900E+01       3.4507090386E-02 
  7      2.3082619700E+01       1.0287316508E-01 
  8      8.6927622900E+00       2.5301559185E-01 
  9      3.2593404800E+00       4.3082769657E-01 
 10      1.2342033500E+00       2.9820807039E-01 
 11      4.6519358500E-01       2.2538162162E-02 
S   1
  1      1.7483320800E-01       1.0000000        
S   1
  1      6.5930660800E-02       1.0000000        
S   1
  1      2.4845099900E-02       1.0000000        
S   1
  1      9.6948460800E-03       1.0000000        
S   1
  1      4.4873520600E-03       1.0000000        
P   1
  1      5.3175313416E+00       1.0000000        
P   1
  1      1.7283187149E+00       1.0000000        
P   1
  1      5.0587059596E-01       1.0000000        
P   1
  1      1.4928005270E-01       1.0000000        
P   1
  1      4.9147581833E-02       1.0000000        
D   1
  1      1.2978961160E-01       1.0000000        
D   1
  1      6.1925134656E-02       1.0000000


name: pcemd-3
description: N/A
elt: Li
data:
LITHIUM
S   11
  1      6.3443895500E+03       5.8004688443E-05 
  2      2.9351888400E+03       2.4393261566E-05 
  3      1.1471270900E+03       2.8933617823E-04 
  4      4.3336606600E+02       8.1673772988E-04 
  5      1.6323047400E+02       2.8791236141E-03 
  6      6.1267176900E+01       9.5459824076E-03 
  7      2.3082619700E+01       3.0094917998E-02 
  8      8.6927622900E+00       8.7471761024E-02 
  9      3.2593404800E+00       2.0246802438E-01 
 10      1.2342033500E+00       3.6267928893E-01 
 11      4.6519358500E-01       4.5372114972E-01 
S   11
  1      6.3443895500E+03       1.0426774937E-04 
  2      2.9351888400E+03       4.3084264822E-05 
  3      1.1471270900E+03       5.2094920180E-04 
  4      4.3336606600E+02       1.4584317578E-03 
  5      1.6323047400E+02       5.1653264101E-03 
  6      6.1267176900E+01       1.6933560106E-02 
  7      2.3082619700E+01       5.2904874880E-02 
  8      8.6927622900E+00       1.4784731783E-01 
  9      3.2593404800E+00       3.1766206029E-01 
 10      1.2342033500E+00       4.2564817527E-01 
 11      4.6519358500E-01       1.9370313215E-01 
S   1
  1      1.7483320800E-01       1.0000000        
S   1
  1      6.5930660800E-02       1.0000000        
S   1
  1      2.4845099900E-02       1.0000000        
S   1
  1      9.6948460800E-03       1.0000000        
S   1
  1      4.4873520600E-03       1.0000000        
P   1
  1      5.3175313416E+00       1.0000000        
P   1
  1      1.7283187149E+00       1.0000000        
P   1
  1      5.0587059596E-01       1.0000000        
P   1
  1      1.4928005270E-01       1.0000000        
P   1
  1      4.9147581833E-02       1.0000000        
D   1
  1      1.2978961160E-01       1.0000000        
D   1
  1      6.1925134656E-02       1.0000000


name: pcemd-3
description: N/A
elt: Ne
data:
NEON
S   9
  1      4.8867409900E+04       1.6043942829E-04 
  2      1.6629346300E+04       3.5266178305E-04 
  3      4.8664367400E+03       2.1759796312E-03 
  4      1.3965835700E+03       9.6601734516E-03 
  5      4.0138518300E+02       4.5069674584E-02 
  6      1.1490111900E+02       1.7962785853E-01 
  7      3.2903381700E+01       5.1452460839E-01 
  8      9.4233911100E+00       4.7445726478E-01 
  9      2.6738309100E+00      -1.3721098379E-01 
S   9
  1      4.8867409900E+04       1.0554092988E-04 
  2      1.6629346300E+04       2.3378763370E-04 
  3      4.8664367400E+03       1.4274421867E-03 
  4      1.3965835700E+03       6.3456856901E-03 
  5      4.0138518300E+02       2.8881900722E-02 
  6      1.1490111900E+02       1.0835892123E-01 
  7      3.2903381700E+01       2.2753561354E-01 
  8      9.4233911100E+00      -7.1040103989E-02 
  9      2.6738309100E+00       9.0391638230E-01 
S   1
  1      7.6283325700E-01       1.0000000        
S   1
  1      2.1699421800E-01       1.0000000        
S   1
  1      6.2674172300E-02       1.0000000        
S   1
  1      2.1083538200E-02       1.0000000        
P   4
  1      6.0054800500E+01       1.7838863018E-02 
  2      2.0541024400E+01       7.3866225540E-02 
  3      6.3031264400E+00       3.3708101063E-01 
  4      1.9244862400E+00       7.0813111261E-01 
P   1
  1      5.8074116500E-01       1.0000000        
P   1
  1      1.7823631300E-01       1.0000000        
P   1
  1      6.1018007000E-02       1.0000000        
D   1
  1      6.7688086580E-01       1.0000000


name: pcemd-3
description: N/A
elt: C
data:
CARBON
S   9
  1      4.8867409900E+04       2.3300826138E-05 
  2      1.6629346300E+04       5.4797500230E-05 
  3      4.8664367400E+03       3.1457326438E-04 
  4      1.3965835700E+03       1.4905589309E-03 
  5      4.0138518300E+02       6.8658131771E-03 
  6      1.1490111900E+02       3.2263091522E-02 
  7      3.2903381700E+01       1.2899068462E-01 
  8      9.4233911100E+00       4.1187636055E-01 
  9      2.6738309100E+00       5.5414342103E-01 
S   9
  1      4.8867409900E+04       4.2482859267E-05 
  2      1.6629346300E+04       9.7138571103E-05 
  3      4.8664367400E+03       5.7489260396E-04 
  4      1.3965835700E+03       2.6575263739E-03 
  5      4.0138518300E+02       1.2406320527E-02 
  6      1.1490111900E+02       5.6068319637E-02 
  7      3.2903381700E+01       2.1279889081E-01 
  8      9.4233911100E+00       5.2395752594E-01 
  9      2.6738309100E+00       3.4837027983E-01 
S   1
  1      7.6283325700E-01       1.0000000        
S   1
  1      2.1699421800E-01       1.0000000        
S   1
  1      6.2674172300E-02       1.0000000        
S   1
  1      2.1083538200E-02       1.0000000        
P   4
  1      6.0054800500E+01       7.0591879395E-03 
  2      2.0541024400E+01       3.5383387547E-02 
  3      6.3031264400E+00       1.9556530272E-01 
  4      1.9244862400E+00       8.4670321849E-01 
P   1
  1      5.8074116500E-01       1.0000000        
P   1
  1      1.7823631300E-01       1.0000000        
P   1
  1      6.1018007000E-02       1.0000000        
D   1
  1      6.7688086580E-01       1.0000000


name: pcemd-3
description: N/A
elt: N
data:
NITROGEN
S   9
  1      4.8867409900E+04       3.7110436824E-05 
  2      1.6629346300E+04       8.8782403115E-05 
  3      4.8664367400E+03       5.0001594025E-04 
  4      1.3965835700E+03       2.4003494435E-03 
  5      4.0138518300E+02       1.0885697827E-02 
  6      1.1490111900E+02       5.1006030060E-02 
  7      3.2903381700E+01       1.9367722755E-01 
  8      9.4233911100E+00       5.6351175542E-01 
  9      2.6738309100E+00       3.2367836572E-01 
S   9
  1      4.8867409900E+04       6.3858358488E-05 
  2      1.6629346300E+04       1.3923762775E-04 
  3      4.8664367400E+03       8.6809489688E-04 
  4      1.3965835700E+03       3.8547380609E-03 
  5      4.0138518300E+02       1.8490122412E-02 
  6      1.1490111900E+02       7.9365071135E-02 
  7      3.2903381700E+01       2.8926301071E-01 
  8      9.4233911100E+00       5.5649123116E-01 
  9      2.6738309100E+00       2.1176822336E-01 
S   1
  1      7.6283325700E-01       1.0000000        
S   1
  1      2.1699421800E-01       1.0000000        
S   1
  1      6.2674172300E-02       1.0000000        
S   1
  1      2.1083538200E-02       1.0000000        
P   4
  1      6.0054800500E+01       8.7602963146E-03 
  2      2.0541024400E+01       4.0560026400E-02 
  3      6.3031264400E+00       2.2236352319E-01 
  4      1.9244862400E+00       8.2298721906E-01 
P   1
  1      5.8074116500E-01       1.0000000        
P   1
  1      1.7823631300E-01       1.0000000        
P   1
  1      6.1018007000E-02       1.0000000        
D   1
  1      6.7688086580E-01       1.0000000


name: pcemd-3
description: N/A
elt: F
data:
FLUORINE
S   9
  1      4.8867409900E+04       9.5344845796E-05 
  2      1.6629346300E+04       2.1400766667E-04 
  3      4.8664367400E+03       1.2929961705E-03 
  4      1.3965835700E+03       5.8738925762E-03 
  5      4.0138518300E+02       2.7611461533E-02 
  6      1.1490111900E+02       1.2002813214E-01 
  7      3.2903381700E+01       4.2991696331E-01 
  8      9.4233911100E+00       8.4909335760E-01 
  9      2.6738309100E+00      -6.5666785852E-01 
S   9
  1      4.8867409900E+04       1.2271563825E-04 
  2      1.6629346300E+04       2.6390683978E-04 
  3      4.8664367400E+03       1.6688388765E-03 
  4      1.3965835700E+03       7.2958756133E-03 
  5      4.0138518300E+02       3.4817091992E-02 
  6      1.1490111900E+02       1.4036477603E-01 
  7      3.2903381700E+01       4.3929726512E-01 
  8      9.4233911100E+00       4.9213453920E-01 
  9      2.6738309100E+00       3.5220264356E-02 
S   1
  1      7.6283325700E-01       1.0000000        
S   1
  1      2.1699421800E-01       1.0000000        
S   1
  1      6.2674172300E-02       1.0000000        
S   1
  1      2.1083538200E-02       1.0000000        
P   4
  1      6.0054800500E+01       1.4200034345E-02 
  2      2.0541024400E+01       5.9852884289E-02 
  3      6.3031264400E+00       3.0028907268E-01 
  4      1.9244862400E+00       7.4827504927E-01 
P   1
  1      5.8074116500E-01       1.0000000        
P   1
  1      1.7823631300E-01       1.0000000        
P   1
  1      6.1018007000E-02       1.0000000        
D   1
  1      6.7688086580E-01       1.0000000


name: pcemd-3
description: N/A
elt: B
data:
BORON
S   9
  1      4.8867409900E+04       1.5772203012E-05 
  2      1.6629346300E+04       3.4777077223E-05 
  3      4.8664367400E+03       2.1439831576E-04 
  4      1.3965835700E+03       9.6519726804E-04 
  5      4.0138518300E+02       4.6645375770E-03 
  6      1.1490111900E+02       2.1354416645E-02 
  7      3.2903381700E+01       9.2286598999E-02 
  8      9.4233911100E+00       3.1173489539E-01 
  9      2.6738309100E+00       6.8252590927E-01 
S   9
  1      4.8867409900E+04       2.6992910231E-05 
  2      1.6629346300E+04       6.4620567942E-05 
  3      4.8664367400E+03       3.6356398529E-04 
  4      1.3965835700E+03       1.7478908854E-03 
  5      4.0138518300E+02       7.9421659131E-03 
  6      1.1490111900E+02       3.7622037110E-02 
  7      3.2903381700E+01       1.4804841804E-01 
  8      9.4233911100E+00       4.4789243177E-01 
  9      2.6738309100E+00       4.9950830762E-01 
S   1
  1      7.6283325700E-01       1.0000000        
S   1
  1      2.1699421800E-01       1.0000000        
S   1
  1      6.2674172300E-02       1.0000000        
S   1
  1      2.1083538200E-02       1.0000000        
P   4
  1      6.0054800500E+01       6.0829995992E-03 
  2      2.0541024400E+01       3.1969690555E-02 
  3      6.3031264400E+00       1.8420956435E-01 
  4      1.9244862400E+00       8.5704138532E-01 
P   1
  1      5.8074116500E-01       1.0000000        
P   1
  1      1.7823631300E-01       1.0000000        
P   1
  1      6.1018007000E-02       1.0000000        
D   1
  1      6.7688086580E-01       1.0000000


name: pcemd-3
description: N/A
elt: O
data:
OXYGEN
S   9
  1      4.8867409900E+04       6.2736235946E-05 
  2      1.6629346300E+04       1.4618807781E-04 
  3      4.8664367400E+03       8.4759514377E-04 
  4      1.3965835700E+03       3.9761226205E-03 
  5      4.0138518300E+02       1.8292812501E-02 
  6      1.1490111900E+02       8.2940714188E-02 
  7      3.2903381700E+01       3.0535378064E-01 
  8      9.4233911100E+00       7.5366449017E-01 
  9      2.6738309100E+00      -8.8868837722E-02 
S   9
  1      4.8867409900E+04       9.0790219834E-05 
  2      1.6629346300E+04       1.9395515614E-04 
  3      4.8664367400E+03       1.2361728894E-03 
  4      1.3965835700E+03       5.3887732491E-03 
  5      4.0138518300E+02       2.6038498650E-02 
  6      1.1490111900E+02       1.0756381701E-01 
  7      3.2903381700E+01       3.6798278888E-01 
  8      9.4233911100E+00       5.4252089128E-01 
  9      2.6738309100E+00       1.0572065544E-01 
S   1
  1      7.6283325700E-01       1.0000000        
S   1
  1      2.1699421800E-01       1.0000000        
S   1
  1      6.2674172300E-02       1.0000000        
S   1
  1      2.1083538200E-02       1.0000000        
P   4
  1      6.0054800500E+01       1.1192261130E-02 
  2      2.0541024400E+01       4.8619164391E-02 
  3      6.3031264400E+00       2.6090027710E-01 
  4      1.9244862400E+00       7.8749012519E-01 
P   1
  1      5.8074116500E-01       1.0000000        
P   1
  1      1.7823631300E-01       1.0000000        
P   1
  1      6.1018007000E-02       1.0000000        
D   1
  1      6.7688086580E-01       1.0000000


name: pcemd-3
description: N/A
elt: Mg
data:
MAGNESIUM
S   7
  1      4.6659679700E+04      -2.1250090657E-03 
  2      1.6915484700E+04      -3.7168568781E-03 
  3      5.2794940900E+03      -2.3243960212E-02 
  4      1.6045449100E+03      -9.1262991452E-02 
  5      4.8753491400E+02      -3.6632569061E-01 
  6      1.4819804800E+02      -9.2007215475E-01 
  7      4.4906488100E+01       1.2430069805E+00 
S   7
  1      4.6659679700E+04       3.8957567646E-04 
  2      1.6915484700E+04       7.0471933580E-04 
  3      5.2794940900E+03       4.2842163141E-03 
  4      1.6045449100E+03       1.7687993399E-02 
  5      4.8753491400E+02       7.5682457956E-02 
  6      1.4819804800E+02       2.7737430610E-01 
  7      4.4906488100E+01       7.1910817884E-01 
S   7
  1      4.6659679700E+04       3.0225517710E-04 
  2      1.6915484700E+04       5.4596680166E-04 
  3      5.2794940900E+03       3.3336093678E-03 
  4      1.6045449100E+03       1.3833226091E-02 
  5      4.8753491400E+02       6.0601684935E-02 
  6      1.4819804800E+02       2.3740484345E-01 
  7      4.4906488100E+01       7.6636165570E-01 
S   1
  1      1.3640755000E+01       1.0000000        
S   1
  1      4.1477513400E+00       1.0000000        
S   1
  1      1.2528369700E+00       1.0000000        
S   1
  1      3.7946622300E-01       1.0000000        
S   1
  1      1.1474421600E-01       1.0000000        
S   1
  1      3.4792557400E-02       1.0000000        
S   1
  1      1.0437565900E-02       1.0000000        
S   1
  1      3.1989253000E-03       1.0000000        
S   1
  1      1.1429665200E-03       1.0000000        
P   6
  1      2.3349886800E+02       2.6926773334E-03 
  2      7.4727414900E+01       1.5323172703E-02 
  3      2.1341656400E+01       1.0144813886E-01 
  4      6.1081845500E+00       3.6645107795E-01 
  5      1.7570269300E+00       5.5333427885E-01 
  6      5.0303920200E-01       2.0396959524E-01 
P   1
  1      1.6011762400E-01       1.0000000        
D   1
  1      4.0803118760E-02       1.0000000        
F   1
  1      4.8696752517E-02       1.0000000


name: pcemd-3
description: N/A
elt: Na
data:
SODIUM
S   7
  1      4.6659679700E+04       2.9001932930E-04 
  2      1.6915484700E+04       5.3277141315E-04 
  3      5.2794940900E+03       3.1917827491E-03 
  4      1.6045449100E+03       1.3438786521E-02 
  5      4.8753491400E+02       5.8369649903E-02 
  6      1.4819804800E+02       2.3383042387E-01 
  7      4.4906488100E+01       7.7104415249E-01 
S   7
  1      4.6659679700E+04       2.9698150595E-04 
  2      1.6915484700E+04       5.4146392674E-04 
  3      5.2794940900E+03       3.2708462358E-03 
  4      1.6045449100E+03       1.3681539676E-02 
  5      4.8753491400E+02       5.9615316695E-02 
  6      1.4819804800E+02       2.3626120962E-01 
  7      4.4906488100E+01       7.6803210248E-01 
S   7
  1      4.6659679700E+04       3.5839682517E-04 
  2      1.6915484700E+04       6.3679040141E-04 
  3      5.2794940900E+03       3.9528859409E-03 
  4      1.6045449100E+03       1.6128785343E-02 
  5      4.8753491400E+02       7.0417099794E-02 
  6      1.4819804800E+02       2.6151690542E-01 
  7      4.4906488100E+01       7.3762534939E-01 
S   1
  1      1.3640755000E+01       1.0000000        
S   1
  1      4.1477513400E+00       1.0000000        
S   1
  1      1.2528369700E+00       1.0000000        
S   1
  1      3.7946622300E-01       1.0000000        
S   1
  1      1.1474421600E-01       1.0000000        
S   1
  1      3.4792557400E-02       1.0000000        
S   1
  1      1.0437565900E-02       1.0000000        
S   1
  1      3.1989253000E-03       1.0000000        
S   1
  1      1.1429665200E-03       1.0000000        
P   6
  1      2.3349886800E+02       1.8694596909E-03 
  2      7.4727414900E+01       1.0872063521E-02 
  3      2.1341656400E+01       7.4321824175E-02 
  4      6.1081845500E+00       2.9794497335E-01 
  5      1.7570269300E+00       5.3858657190E-01 
  6      5.0303920200E-01       3.2228894016E-01 
P   1
  1      1.6011762400E-01       1.0000000        
D   1
  1      4.0803118760E-02       1.0000000        
F   1
  1      4.8696752517E-02       1.0000000


name: pcemd-3
description: N/A
elt: Ar
data:
ARGON
S   13
  1      7.5949606700E+04      -5.7930800537E-05 
  2      3.1189072400E+04      -6.7241767778E-05 
  3      1.0924403900E+04      -4.2218845853E-04 
  4      3.7488070500E+03      -1.5347731624E-03 
  5      1.2635900800E+03      -5.8876348998E-03 
  6      4.2809255500E+02      -2.1965161144E-02 
  7      1.4648747900E+02      -7.1033644044E-02 
  8      4.9635313400E+01      -1.7385016928E-01 
  9      1.6748689200E+01       1.2241682790E-02 
 10      5.6921754200E+00       6.3595032378E-01 
 11      1.9377334900E+00       2.8518399191E-01 
 12      6.5880481400E-01       1.4460749517E-01 
 13      2.1984620800E-01       1.4355956053E-01 
S   13
  1      7.5949606700E+04       1.2822472576E-04 
  2      3.1189072400E+04       1.3661374155E-04 
  3      1.0924403900E+04       9.4472220863E-04 
  4      3.7488070500E+03       3.2065143506E-03 
  5      1.2635900800E+03       1.2696967223E-02 
  6      4.2809255500E+02       4.2642148611E-02 
  7      1.4648747900E+02       1.2448636825E-01 
  8      4.9635313400E+01       2.1610540943E-01 
  9      1.6748689200E+01       2.8007830005E-02 
 10      5.6921754200E+00      -5.7123449979E-01 
 11      1.9377334900E+00      -3.8818392236E-01 
 12      6.5880481400E-01       7.3447954924E-01 
 13      2.1984620800E-01       4.9261950737E-01 
S   13
  1      7.5949606700E+04       4.1604856472E-04 
  2      3.1189072400E+04       4.3772895447E-04 
  3      1.0924403900E+04       3.0669113877E-03 
  4      3.7488070500E+03       1.0287036515E-02 
  5      1.2635900800E+03       4.0655300181E-02 
  6      4.2809255500E+02       1.3185702778E-01 
  7      1.4648747900E+02       3.5722177046E-01 
  8      4.9635313400E+01       4.7577026422E-01 
  9      1.6748689200E+01       1.2175024131E-01 
 10      5.6921754200E+00       6.6284916274E-03 
 11      1.9377334900E+00       2.9802901654E-02 
 12      6.5880481400E-01      -1.2937236190E-01 
 13      2.1984620800E-01      -8.9589197370E-02 
S   1
  1      7.6995768700E-02       1.0000000        
S   1
  1      3.1459857700E-02       1.0000000        
P   7
  1      3.0835139000E+02      -2.3766062737E-03 
  2      1.0377006200E+02      -1.2164720778E-02 
  3      3.1276672400E+01      -6.6290143231E-02 
  4      9.3991279800E+00      -1.8659477961E-01 
  5      2.8189900200E+00      -7.4255415878E-02 
  6      8.4462892500E-01       5.5245196819E-01 
  7      2.5397992400E-01       5.7644395597E-01 
P   7
  1      3.0835139000E+02       8.2165457027E-03 
  2      1.0377006200E+02       4.0234170473E-02 
  3      3.1276672400E+01       2.1826094944E-01 
  4      9.3991279800E+00       5.5730907073E-01 
  5      2.8189900200E+00       3.8067367339E-01 
  6      8.4462892500E-01      -8.1158720937E-03 
  7      2.5397992400E-01       1.3022838999E-02 
P   1
  1      7.6678115800E-02       1.0000000        
P   1
  1      2.5880796700E-02       1.0000000        
D   1
  1      5.8439023593E-01       1.0000000        
D   1
  1      1.6203938310E-01       1.0000000


name: pcemd-3
description: N/A
elt: P
data:
PHOSPHORUS
S   13
  1      7.5949606700E+04       2.1740085633E-05 
  2      3.1189072400E+04       2.4647277137E-05 
  3      1.0924403900E+04       1.5881513885E-04 
  4      3.7488070500E+03       5.6699400152E-04 
  5      1.2635900800E+03       2.1950532782E-03 
  6      4.2809255500E+02       8.0165355303E-03 
  7      1.4648747900E+02       2.5726692979E-02 
  8      4.9635313400E+01       6.6504618922E-02 
  9      1.6748689200E+01       5.7165591321E-02 
 10      5.6921754200E+00      -1.7807681717E-01 
 11      1.9377334900E+00      -5.0166786640E-01 
 12      6.5880481400E-01       2.0367056252E-01 
 13      2.1984620800E-01       9.9133511633E-01 
S   13
  1      7.5949606700E+04      -3.9754484136E-05 
  2      3.1189072400E+04      -4.4137861629E-05 
  3      1.0924403900E+04      -2.9183768802E-04 
  4      3.7488070500E+03      -1.0288349981E-03 
  5      1.2635900800E+03      -4.0710052031E-03 
  6      4.2809255500E+02      -1.5031241390E-02 
  7      1.4648747900E+02      -5.1641697588E-02 
  8      4.9635313400E+01      -1.4739538472E-01 
  9      1.6748689200E+01      -1.4483977534E-01 
 10      5.6921754200E+00       4.7339287928E-01 
 11      1.9377334900E+00       6.7594896238E-01 
 12      6.5880481400E-01       2.5544010742E-02 
 13      2.1984620800E-01      -4.6151714325E-03 
S   13
  1      7.5949606700E+04       2.7151767733E-04 
  2      3.1189072400E+04       2.9328084560E-04 
  3      1.0924403900E+04       1.9956684546E-03 
  4      3.7488070500E+03       6.8534528829E-03 
  5      1.2635900800E+03       2.7004705452E-02 
  6      4.2809255500E+02       9.2594867653E-02 
  7      1.4648747900E+02       2.7578643273E-01 
  8      4.9635313400E+01       5.1594737170E-01 
  9      1.6748689200E+01       2.8339607325E-01 
 10      5.6921754200E+00      -6.3128049827E-02 
 11      1.9377334900E+00      -7.1238342302E-02 
 12      6.5880481400E-01      -8.8722990206E-03 
 13      2.1984620800E-01       3.0825825731E-03 
S   1
  1      7.6995768700E-02       1.0000000        
S   1
  1      3.1459857700E-02       1.0000000        
P   7
  1      3.0835139000E+02      -1.2854630865E-03 
  2      1.0377006200E+02      -6.3476812885E-03 
  3      3.1276672400E+01      -4.0422512118E-02 
  4      9.3991279800E+00      -1.3676951038E-01 
  5      2.8189900200E+00      -2.0193368900E-01 
  6      8.4462892500E-01       2.0793662708E-01 
  7      2.5397992400E-01       8.7888810824E-01 
P   7
  1      3.0835139000E+02       4.0607743350E-03 
  2      1.0377006200E+02       2.0846118182E-02 
  3      3.1276672400E+01       1.2534554048E-01 
  4      9.3991279800E+00       4.2210317147E-01 
  5      2.8189900200E+00       5.4098084023E-01 
  6      8.4462892500E-01       1.0717955713E-01 
  7      2.5397992400E-01      -5.8977003598E-03 
P   1
  1      7.6678115800E-02       1.0000000        
P   1
  1      2.5880796700E-02       1.0000000        
D   1
  1      5.8439023593E-01       1.0000000        
D   1
  1      1.6203938310E-01       1.0000000


name: pcemd-3
description: N/A
elt: Cl
data:
CHLORINE
S   13
  1      7.5949606700E+04       3.0168616482E-05 
  2      3.1189072400E+04       3.2261047521E-05 
  3      1.0924403900E+04       2.2251185455E-04 
  4      3.7488070500E+03       7.6029542168E-04 
  5      1.2635900800E+03       3.0412623544E-03 
  6      4.2809255500E+02       1.0602583419E-02 
  7      1.4648747900E+02       3.3935640553E-02 
  8      4.9635313400E+01       7.5344209210E-02 
  9      1.6748689200E+01       2.9267415799E-02 
 10      5.6921754200E+00      -3.1235442386E-01 
 11      1.9377334900E+00      -4.0382656229E-01 
 12      6.5880481400E-01       6.2164507350E-01 
 13      2.1984620800E-01       6.6693836759E-01 
S   13
  1      7.5949606700E+04      -7.7705977778E-05 
  2      3.1189072400E+04      -8.6517934047E-05 
  3      1.0924403900E+04      -5.6962024386E-04 
  4      3.7488070500E+03      -2.0052589293E-03 
  5      1.2635900800E+03      -7.8457339596E-03 
  6      4.2809255500E+02      -2.8195194141E-02 
  7      1.4648747900E+02      -9.0005011573E-02 
  8      4.9635313400E+01      -2.1140595029E-01 
  9      1.6748689200E+01      -6.4255197286E-02 
 10      5.6921754200E+00       6.8802629726E-01 
 11      1.9377334900E+00       4.8199367249E-01 
 12      6.5880481400E-01      -4.1724603050E-02 
 13      2.1984620800E-01       1.8550786983E-02 
S   13
  1      7.5949606700E+04       3.7035116940E-04 
  2      3.1189072400E+04       3.9126830315E-04 
  3      1.0924403900E+04       2.7295985490E-03 
  4      3.7488070500E+03       9.1986576678E-03 
  5      1.2635900800E+03       3.6436271105E-02 
  6      4.2809255500E+02       1.2020534876E-01 
  7      1.4648747900E+02       3.3798170564E-01 
  8      4.9635313400E+01       5.0772647980E-01 
  9      1.6748689200E+01       1.7034803761E-01 
 10      5.6921754200E+00      -5.3921778680E-02 
 11      1.9377334900E+00      -2.4874457414E-02 
 12      6.5880481400E-01      -6.9287209425E-04 
 13      2.1984620800E-01       8.6215837742E-04 
S   1
  1      7.6995768700E-02       1.0000000        
S   1
  1      3.1459857700E-02       1.0000000        
P   7
  1      3.0835139000E+02      -1.8918516277E-03 
  2      1.0377006200E+02      -9.6347626422E-03 
  3      3.1276672400E+01      -5.5170083402E-02 
  4      9.3991279800E+00      -1.6616288720E-01 
  5      2.8189900200E+00      -1.2806749161E-01 
  6      8.4462892500E-01       4.6335630071E-01 
  7      2.5397992400E-01       6.7366343092E-01 
P   7
  1      3.0835139000E+02       6.6016520822E-03 
  2      1.0377006200E+02       3.2972911508E-02 
  3      3.1276672400E+01       1.8488126702E-01 
  4      9.3991279800E+00       5.2145480829E-01 
  5      2.8189900200E+00       4.4406502193E-01 
  6      8.4462892500E-01       1.1736910591E-02 
  7      2.5397992400E-01       7.2870739982E-03 
P   1
  1      7.6678115800E-02       1.0000000        
P   1
  1      2.5880796700E-02       1.0000000        
D   1
  1      5.8439023593E-01       1.0000000        
D   1
  1      1.6203938310E-01       1.0000000


name: pcemd-3
description: N/A
elt: Al
data:
ALUMINUM
S   13
  1      7.5949606700E+04       2.4113119700E-05 
  2      3.1189072400E+04       2.7541092087E-05 
  3      1.0924403900E+04       1.7594163601E-04 
  4      3.7488070500E+03       6.3263236944E-04 
  5      1.2635900800E+03       2.4471271336E-03 
  6      4.2809255500E+02       9.0911131659E-03 
  7      1.4648747900E+02       3.0069496232E-02 
  8      4.9635313400E+01       8.5665510045E-02 
  9      1.6748689200E+01       1.1812228402E-01 
 10      5.6921754200E+00      -1.2127527945E-01 
 11      1.9377334900E+00      -6.1889267350E-01 
 12      6.5880481400E-01      -4.8976852901E-01 
 13      2.1984620800E-01       1.2456516361E+00 
S   13
  1      7.5949606700E+04      -4.6569675775E-05 
  2      3.1189072400E+04      -5.1630887049E-05 
  3      1.0924403900E+04      -3.4149732073E-04 
  4      3.7488070500E+03      -1.2014680251E-03 
  5      1.2635900800E+03      -4.7334141660E-03 
  6      4.2809255500E+02      -1.7277003863E-02 
  7      1.4648747900E+02      -5.7822364679E-02 
  8      4.9635313400E+01      -1.6001364211E-01 
  9      1.6748689200E+01      -2.1976140766E-01 
 10      5.6921754200E+00       2.1862166520E-01 
 11      1.9377334900E+00       7.3614076714E-01 
 12      6.5880481400E-01       2.3010404640E-01 
 13      2.1984620800E-01      -2.2745151874E-02 
S   13
  1      7.5949606700E+04       1.8366769521E-04 
  2      3.1189072400E+04       2.0494934930E-04 
  3      1.0924403900E+04       1.3434907222E-03 
  4      3.7488070500E+03       4.7355012878E-03 
  5      1.2635900800E+03       1.8411417358E-02 
  6      4.2809255500E+02       6.5695289345E-02 
  7      1.4648747900E+02       2.0385288255E-01 
  8      4.9635313400E+01       4.5838891923E-01 
  9      1.6748689200E+01       3.7494571609E-01 
 10      5.6921754200E+00       2.1910841055E-02 
 11      1.9377334900E+00       2.7367508709E-03 
 12      6.5880481400E-01      -5.9539172385E-03 
 13      2.1984620800E-01       2.7870220435E-03 
S   1
  1      7.6995768700E-02       1.0000000        
S   1
  1      3.1459857700E-02       1.0000000        
P   7
  1      3.0835139000E+02      -1.1515623498E-03 
  2      1.0377006200E+02      -5.9782280889E-03 
  3      3.1276672400E+01      -3.9292648503E-02 
  4      9.3991279800E+00      -1.5792172624E-01 
  5      2.8189900200E+00      -3.0355859369E-01 
  6      8.4462892500E-01      -1.3084597517E-01 
  7      2.5397992400E-01       1.0308149564E+00 
P   7
  1      3.0835139000E+02       2.2952362513E-03 
  2      1.0377006200E+02       1.2027462088E-02 
  3      3.1276672400E+01       7.7301813220E-02 
  4      9.3991279800E+00       3.0532173935E-01 
  5      2.8189900200E+00       5.5494374972E-01 
  6      8.4462892500E-01       2.8065779585E-01 
  7      2.5397992400E-01      -7.5792994003E-03 
P   1
  1      7.6678115800E-02       1.0000000        
P   1
  1      2.5880796700E-02       1.0000000        
D   1
  1      5.8439023593E-01       1.0000000        
D   1
  1      1.6203938310E-01       1.0000000


name: pcemd-3
description: N/A
elt: Si
data:
SILICON
S   13
  1      7.5949606700E+04       2.1672807246E-05 
  2      3.1189072400E+04       2.4991162740E-05 
  3      1.0924403900E+04       1.5786850786E-04 
  4      3.7488070500E+03       5.7118776095E-04 
  5      1.2635900800E+03       2.1919893007E-03 
  6      4.2809255500E+02       8.1367789468E-03 
  7      1.4648747900E+02       2.6337644114E-02 
  8      4.9635313400E+01       7.2265244573E-02 
  9      1.6748689200E+01       7.9693063110E-02 
 10      5.6921754200E+00      -1.4509700773E-01 
 11      1.9377334900E+00      -5.4783463582E-01 
 12      6.5880481400E-01      -8.7157015615E-02 
 13      2.1984620800E-01       1.1527015255E+00 
S   13
  1      7.5949606700E+04      -5.1669822956E-05 
  2      3.1189072400E+04      -5.6984507296E-05 
  3      1.0924403900E+04      -3.7928085444E-04 
  4      3.7488070500E+03      -1.3286754697E-03 
  5      1.2635900800E+03      -5.2479542729E-03 
  6      4.2809255500E+02      -1.9035509777E-02 
  7      1.4648747900E+02      -6.3321845298E-02 
  8      4.9635313400E+01      -1.6996855240E-01 
  9      1.6748689200E+01      -1.9587685295E-01 
 10      5.6921754200E+00       3.4738573164E-01 
 11      1.9377334900E+00       7.2860259782E-01 
 12      6.5880481400E-01       1.1160187310E-01 
 13      2.1984620800E-01      -8.2577269632E-03 
S   13
  1      7.5949606700E+04       2.2362493119E-04 
  2      3.1189072400E+04       2.4540361893E-04 
  3      1.0924403900E+04       1.6398700288E-03 
  4      3.7488070500E+03       5.7033770103E-03 
  5      1.2635900800E+03       2.2330351936E-02 
  6      4.2809255500E+02       7.8093725152E-02 
  7      1.4648747900E+02       2.3743554905E-01 
  8      4.9635313400E+01       4.8695386056E-01 
  9      1.6748689200E+01       3.2531315201E-01 
 10      5.6921754200E+00      -7.4568279529E-03 
 11      1.9377334900E+00      -1.4161293138E-02 
 12      6.5880481400E-01      -9.2789793050E-03 
 13      2.1984620800E-01       3.5096194044E-03 
S   1
  1      7.6995768700E-02       1.0000000        
S   1
  1      3.1459857700E-02       1.0000000        
P   7
  1      3.0835139000E+02      -1.1355583460E-03 
  2      1.0377006200E+02      -5.6658981207E-03 
  3      3.1276672400E+01      -3.7120533010E-02 
  4      9.3991279800E+00      -1.3579563039E-01 
  5      2.8189900200E+00      -2.3486728724E-01 
  6      8.4462892500E-01       5.7387668713E-02 
  7      2.5397992400E-01       9.6753317719E-01 
P   7
  1      3.0835139000E+02       3.0960961356E-03 
  2      1.0377006200E+02       1.6032579890E-02 
  3      3.1276672400E+01       9.9903656679E-02 
  4      9.3991279800E+00       3.6454180283E-01 
  5      2.8189900200E+00       5.6141353337E-01 
  6      8.4462892500E-01       1.8532209228E-01 
  7      2.5397992400E-01      -1.2317936022E-02 
P   1
  1      7.6678115800E-02       1.0000000        
P   1
  1      2.5880796700E-02       1.0000000        
D   1
  1      5.8439023593E-01       1.0000000        
D   1
  1      1.6203938310E-01       1.0000000


name: pcemd-3
description: N/A
elt: S
data:
SULFUR
S   13
  1      7.5949606700E+04       2.5686476026E-05 
  2      3.1189072400E+04       2.8225369741E-05 
  3      1.0924403900E+04       1.8862850030E-04 
  4      3.7488070500E+03       6.5776991410E-04 
  5      1.2635900800E+03       2.5923258598E-03 
  6      4.2809255500E+02       9.2423331290E-03 
  7      1.4648747900E+02       2.9671773109E-02 
  8      4.9635313400E+01       7.1328011931E-02 
  9      1.6748689200E+01       4.5100541294E-02 
 10      5.6921754200E+00      -2.4321170691E-01 
 11      1.9377334900E+00      -4.7146668607E-01 
 12      6.5880481400E-01       4.3626177123E-01 
 13      2.1984620800E-01       8.2571675831E-01 
S   13
  1      7.5949606700E+04      -6.1012603066E-05 
  2      3.1189072400E+04      -6.7607149118E-05 
  3      1.0924403900E+04      -4.4771742644E-04 
  4      3.7488070500E+03      -1.5726642120E-03 
  5      1.2635900800E+03      -6.1916840230E-03 
  6      4.2809255500E+02      -2.2420681878E-02 
  7      1.4648747900E+02      -7.3652942842E-02 
  8      4.9635313400E+01      -1.8689107938E-01 
  9      1.6748689200E+01      -1.1610373668E-01 
 10      5.6921754200E+00       5.9008511202E-01 
 11      1.9377334900E+00       5.8553491713E-01 
 12      6.5880481400E-01      -2.0242119652E-02 
 13      2.1984620800E-01       1.6411423960E-02 
S   13
  1      7.5949606700E+04       3.1818949793E-04 
  2      3.1189072400E+04       3.3917670993E-04 
  3      1.0924403900E+04       2.3427938456E-03 
  4      3.7488070500E+03       7.9579681896E-03 
  5      1.2635900800E+03       3.1484474439E-02 
  6      4.2809255500E+02       1.0579540188E-01 
  7      1.4648747900E+02       3.0670293340E-01 
  8      4.9635313400E+01       5.1459449377E-01 
  9      1.6748689200E+01       2.2229285532E-01 
 10      5.6921754200E+00      -5.6341561114E-02 
 11      1.9377334900E+00      -3.7660067642E-02 
 12      6.5880481400E-01      -3.1428439945E-03 
 13      2.1984620800E-01       1.5151692514E-03 
S   1
  1      7.6995768700E-02       1.0000000        
S   1
  1      3.1459857700E-02       1.0000000        
P   7
  1      3.0835139000E+02      -1.5528912384E-03 
  2      1.0377006200E+02      -7.7776221414E-03 
  3      3.1276672400E+01      -4.7084936819E-02 
  4      9.3991279800E+00      -1.5004947048E-01 
  5      2.8189900200E+00      -1.7175544798E-01 
  6      8.4462892500E-01       3.4998564630E-01 
  7      2.5397992400E-01       7.7448594027E-01 
P   7
  1      3.0835139000E+02       5.2197285232E-03 
  2      1.0377006200E+02       2.6490584557E-02 
  3      3.1276672400E+01       1.5369724854E-01 
  4      9.3991279800E+00       4.7531226465E-01 
  5      2.8189900200E+00       4.9952799640E-01 
  6      8.4462892500E-01       4.9941418322E-02 
  7      2.5397992400E-01       1.8909068826E-03 
P   1
  1      7.6678115800E-02       1.0000000        
P   1
  1      2.5880796700E-02       1.0000000        
D   1
  1      5.8439023593E-01       1.0000000        
D   1
  1      1.6203938310E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: He
data:
HELIUM
S   8
  1      7.4069030200E+03       6.3991873916E-04 
  2      3.5932292000E+03       1.0437341436E-04 
  3      1.4620925100E+03       2.7518507813E-03 
  4      5.7724434100E+02       6.8565286398E-03 
  5      2.2451391800E+02       2.4288431512E-02 
  6      8.7710241300E+01       7.5673404796E-02 
  7      3.4245866300E+01       2.4167245314E-01 
  8      1.3488153000E+01       7.2110119955E-01 
S   1
  1      5.2562638000E+00       1.0000000        
S   1
  1      2.0439795800E+00       1.0000000        
S   1
  1      8.0348891700E-01       1.0000000        
S   1
  1      3.1211434200E-01       1.0000000        
S   1
  1      1.2234294700E-01       1.0000000        
S   1
  1      4.7845559600E-02       1.0000000        
S   1
  1      1.9436407100E-02       1.0000000        
S   1
  1      9.3913410300E-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: pcemd-4
description: The pcemd-4 basis set
elt: H
data:
HYDROGEN
S   8
  1      7.4069030200E+03       5.9921820478E-04 
  2      3.5932292000E+03       1.0292212728E-04 
  3      1.4620925100E+03       2.5679627922E-03 
  4      5.7724434100E+02       6.4806021021E-03 
  5      2.2451391800E+02       2.2766160726E-02 
  6      8.7710241300E+01       7.2063999265E-02 
  7      3.4245866300E+01       2.3249638826E-01 
  8      1.3488153000E+01       7.3332120824E-01 
S   1
  1      5.2562638000E+00       1.0000000        
S   1
  1      2.0439795800E+00       1.0000000        
S   1
  1      8.0348891700E-01       1.0000000        
S   1
  1      3.1211434200E-01       1.0000000        
S   1
  1      1.2234294700E-01       1.0000000        
S   1
  1      4.7845559600E-02       1.0000000        
S   1
  1      1.9436407100E-02       1.0000000        
S   1
  1      9.3913410300E-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: pcemd-4
description: The pcemd-4 basis set
elt: Be
data:
BERYLLIUM
S   12
  1      2.8488103900E+04       2.2946742271E-05 
  2      1.3964631800E+04       2.0608002194E-06 
  3      5.8027978500E+03       9.3219088244E-05 
  4      2.3307384400E+03       2.2294379136E-04 
  5      9.2517235100E+02       7.7246509329E-04 
  6      3.6500656300E+02       2.4289326053E-03 
  7      1.4392431000E+02       7.6252053527E-03 
  8      5.7024088000E+01       2.3400541795E-02 
  9      2.2553212800E+01       6.7278830574E-02 
 10      8.9176634900E+00       1.7003526557E-01 
 11      3.5081852200E+00       3.4784830779E-01 
 12      1.3822620200E+00       5.0715783861E-01 
S   12
  1      2.8488103900E+04       3.6918646475E-05 
  2      1.3964631800E+04       2.8603383569E-06 
  3      5.8027978500E+03       1.5067039409E-04 
  4      2.3307384400E+03       3.5426282338E-04 
  5      9.2517235100E+02       1.2456033213E-03 
  6      3.6500656300E+02       3.8606026453E-03 
  7      1.4392431000E+02       1.2190543686E-02 
  8      5.7024088000E+01       3.6608304641E-02 
  9      2.2553212800E+01       1.0312153140E-01 
 10      8.9176634900E+00       2.4183190825E-01 
 11      3.5081852200E+00       4.1555071391E-01 
 12      1.3822620200E+00       3.3058875207E-01 
S   1
  1      5.4504000600E-01       1.0000000        
S   1
  1      2.1426824600E-01       1.0000000        
S   1
  1      8.4522486300E-02       1.0000000        
S   1
  1      3.2959724700E-02       1.0000000        
S   1
  1      1.3018510900E-02       1.0000000        
S   1
  1      5.0872453000E-03       1.0000000        
S   1
  1      2.0670758200E-03       1.0000000        
S   1
  1      1.0026242800E-03       1.0000000        
P   1
  1      1.0874509351E+01       1.0000000        
P   1
  1      5.0814732309E+00       1.0000000        
P   1
  1      2.0600061706E+00       1.0000000        
P   1
  1      8.1872471753E-01       1.0000000        
P   1
  1      3.2619036017E-01       1.0000000        
P   1
  1      1.2864511830E-01       1.0000000        
P   1
  1      5.2015434957E-02       1.0000000        
P   1
  1      2.4202451557E-02       1.0000000        
D   1
  1      3.7660224101E-01       1.0000000        
D   1
  1      1.5511395069E-01       1.0000000        
D   1
  1      6.3277773349E-02       1.0000000        
F   1
  1      1.4330125702E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Li
data:
LITHIUM
S   12
  1      2.8488103900E+04       1.6344985745E-05 
  2      1.3964631800E+04       1.7448603267E-06 
  3      5.8027978500E+03       6.5943514890E-05 
  4      2.3307384400E+03       1.6147827778E-04 
  5      9.2517235100E+02       5.4801931226E-04 
  6      3.6500656300E+02       1.7571836083E-03 
  7      1.4392431000E+02       5.4650708743E-03 
  8      5.7024088000E+01       1.7252909210E-02 
  9      2.2553212800E+01       5.0989363813E-02 
 10      8.9176634900E+00       1.4119563879E-01 
 11      3.5081852200E+00       3.1742616134E-01 
 12      1.3822620200E+00       5.7654138990E-01 
S   12
  1      2.8488103900E+04       2.0765696972E-05 
  2      1.3964631800E+04       1.9295869475E-06 
  3      5.8027978500E+03       8.4224357511E-05 
  4      2.3307384400E+03       2.0241951880E-04 
  5      9.2517235100E+02       6.9857241586E-04 
  6      3.6500656300E+02       2.2071237934E-03 
  7      1.4392431000E+02       6.9307522066E-03 
  8      5.7024088000E+01       2.1527788047E-02 
  9      2.2553212800E+01       6.3323799399E-02 
 10      8.9176634900E+00       1.6824398057E-01 
 11      3.5081852200E+00       3.5531919362E-01 
 12      1.3822620200E+00       5.0440559719E-01 
S   1
  1      5.4504000600E-01       1.0000000        
S   1
  1      2.1426824600E-01       1.0000000        
S   1
  1      8.4522486300E-02       1.0000000        
S   1
  1      3.2959724700E-02       1.0000000        
S   1
  1      1.3018510900E-02       1.0000000        
S   1
  1      5.0872453000E-03       1.0000000        
S   1
  1      2.0670758200E-03       1.0000000        
S   1
  1      1.0026242800E-03       1.0000000        
P   1
  1      1.0874509351E+01       1.0000000        
P   1
  1      5.0814732309E+00       1.0000000        
P   1
  1      2.0600061706E+00       1.0000000        
P   1
  1      8.1872471753E-01       1.0000000        
P   1
  1      3.2619036017E-01       1.0000000        
P   1
  1      1.2864511830E-01       1.0000000        
P   1
  1      5.2015434957E-02       1.0000000        
P   1
  1      2.4202451557E-02       1.0000000        
D   1
  1      3.7660224101E-01       1.0000000        
D   1
  1      1.5511395069E-01       1.0000000        
D   1
  1      6.3277773349E-02       1.0000000        
F   1
  1      1.4330125702E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Ne
data:
NEON
S   10
  1      1.6351715400E+05       4.5445637282E-05 
  2      7.0972564400E+04       3.5414274192E-05 
  3      2.6059641500E+04       2.8084871419E-04 
  4      9.3872797400E+03       8.8690140461E-04 
  5      3.3413655600E+03       3.3363645932E-03 
  6      1.1998802800E+03       1.1623834976E-02 
  7      4.2714085800E+02       4.1371098821E-02 
  8      1.5188380700E+02       1.3238948142E-01 
  9      5.4042110800E+01       3.5583531234E-01 
 10      1.9190428000E+01       5.6884997848E-01 
S   10
  1      1.6351715400E+05       3.4191147747E-05 
  2      7.0972564400E+04       2.7649055833E-05 
  3      2.6059641500E+04       2.1010719671E-04 
  4      9.3872797400E+03       6.7954420178E-04 
  5      3.3413655600E+03       2.5078154240E-03 
  6      1.1998802800E+03       8.9282781865E-03 
  7      4.2714085800E+02       3.1666136456E-02 
  8      1.5188380700E+02       1.0608228189E-01 
  9      5.4042110800E+01       3.0648544609E-01 
 10      1.9190428000E+01       6.4419993845E-01 
S   1
  1      6.8792679300E+00       1.0000000        
S   1
  1      2.4400452600E+00       1.0000000        
S   1
  1      8.6739387600E-01       1.0000000        
S   1
  1      3.0943561000E-01       1.0000000        
S   1
  1      1.1011816500E-01       1.0000000        
S   1
  1      3.9126282100E-02       1.0000000        
S   1
  1      1.4397592700E-02       1.0000000        
S   1
  1      6.2770191200E-03       1.0000000        
P   5
  1      1.3154398700E+02       1.1069345341E-02 
  2      6.4683529100E+01       1.4772555228E-02 
  3      2.7710073800E+01       9.0120391414E-02 
  4      1.1425678000E+01       2.7757080942E-01 
  5      4.7262221100E+00       7.0627515550E-01 
P   1
  1      1.9561848800E+00       1.0000000        
P   1
  1      8.0484654300E-01       1.0000000        
P   1
  1      3.3058691800E-01       1.0000000        
P   1
  1      1.3678029200E-01       1.0000000        
P   1
  1      5.7903449700E-02       1.0000000        
P   1
  1      2.8203720500E-02       1.0000000        
D   1
  1      1.3188370251E+00       1.0000000        
D   1
  1      6.8242525525E-01       1.0000000        
D   1
  1      3.5504167432E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: C
data:
CARBON
S   10
  1      1.6351715400E+05       2.2642274748E-05 
  2      7.0972564400E+04       1.6644532478E-05 
  3      2.6059641500E+04       1.4115456176E-04 
  4      9.3872797400E+03       4.3101952905E-04 
  5      3.3413655600E+03       1.6788141952E-03 
  6      1.1998802800E+03       5.7630039217E-03 
  7      4.2714085800E+02       2.1629833945E-02 
  8      1.5188380700E+02       7.4234682741E-02 
  9      5.4042110800E+01       2.5515439514E-01 
 10      1.9190428000E+01       7.2178110790E-01 
S   10
  1      1.6351715400E+05       2.5360969000E-05 
  2      7.0972564400E+04       1.9752703073E-05 
  3      2.6059641500E+04       1.5671088586E-04 
  4      9.3872797400E+03       4.9559966156E-04 
  5      3.3413655600E+03       1.8697005850E-03 
  6      1.1998802800E+03       6.5759878900E-03 
  7      4.2714085800E+02       2.4009669512E-02 
  8      1.5188380700E+02       8.2807584796E-02 
  9      5.4042110800E+01       2.6900243927E-01 
 10      1.9190428000E+01       7.0145269035E-01 
S   1
  1      6.8792679300E+00       1.0000000        
S   1
  1      2.4400452600E+00       1.0000000        
S   1
  1      8.6739387600E-01       1.0000000        
S   1
  1      3.0943561000E-01       1.0000000        
S   1
  1      1.1011816500E-01       1.0000000        
S   1
  1      3.9126282100E-02       1.0000000        
S   1
  1      1.4397592700E-02       1.0000000        
S   1
  1      6.2770191200E-03       1.0000000        
P   5
  1      1.3154398700E+02       6.9219806537E-03 
  2      6.4683529100E+01       1.0230936936E-02 
  3      2.7710073800E+01       6.5475804335E-02 
  4      1.1425678000E+01       2.3308955963E-01 
  5      4.7262221100E+00       7.6514875058E-01 
P   1
  1      1.9561848800E+00       1.0000000        
P   1
  1      8.0484654300E-01       1.0000000        
P   1
  1      3.3058691800E-01       1.0000000        
P   1
  1      1.3678029200E-01       1.0000000        
P   1
  1      5.7903449700E-02       1.0000000        
P   1
  1      2.8203720500E-02       1.0000000        
D   1
  1      1.3188370251E+00       1.0000000        
D   1
  1      6.8242525525E-01       1.0000000        
D   1
  1      3.5504167432E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: N
data:
NITROGEN
S   10
  1      1.6351715400E+05       2.4231445490E-05 
  2      7.0972564400E+04       1.8062576989E-05 
  3      2.6059641500E+04       1.5077111383E-04 
  4      9.3872797400E+03       4.6411806771E-04 
  5      3.3413655600E+03       1.7940531227E-03 
  6      1.1998802800E+03       6.1897213666E-03 
  7      4.2714085800E+02       2.3044591608E-02 
  8      1.5188380700E+02       7.8751573157E-02 
  9      5.4042110800E+01       2.6308256140E-01 
 10      1.9190428000E+01       7.1043776011E-01 
S   10
  1      1.6351715400E+05       2.8425104027E-05 
  2      7.0972564400E+04       2.3163185664E-05 
  3      2.6059641500E+04       1.7438964987E-04 
  4      9.3872797400E+03       5.6729006182E-04 
  5      3.3413655600E+03       2.0857869498E-03 
  6      1.1998802800E+03       7.4786127296E-03 
  7      4.2714085800E+02       2.6676977906E-02 
  8      1.5188380700E+02       9.2058813977E-02 
  9      5.4042110800E+01       2.8295197236E-01 
 10      1.9190428000E+01       6.8008086380E-01 
S   1
  1      6.8792679300E+00       1.0000000        
S   1
  1      2.4400452600E+00       1.0000000        
S   1
  1      8.6739387600E-01       1.0000000        
S   1
  1      3.0943561000E-01       1.0000000        
S   1
  1      1.1011816500E-01       1.0000000        
S   1
  1      3.9126282100E-02       1.0000000        
S   1
  1      1.4397592700E-02       1.0000000        
S   1
  1      6.2770191200E-03       1.0000000        
P   5
  1      1.3154398700E+02       7.6593794620E-03 
  2      6.4683529100E+01       1.0897385324E-02 
  3      2.7710073800E+01       6.9664778304E-02 
  4      1.1425678000E+01       2.3685271965E-01 
  5      4.7262221100E+00       7.5886856967E-01 
P   1
  1      1.9561848800E+00       1.0000000        
P   1
  1      8.0484654300E-01       1.0000000        
P   1
  1      3.3058691800E-01       1.0000000        
P   1
  1      1.3678029200E-01       1.0000000        
P   1
  1      5.7903449700E-02       1.0000000        
P   1
  1      2.8203720500E-02       1.0000000        
D   1
  1      1.3188370251E+00       1.0000000        
D   1
  1      6.8242525525E-01       1.0000000        
D   1
  1      3.5504167432E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: F
data:
FLUORINE
S   10
  1      1.6351715400E+05       2.8345476787E-05 
  2      7.0972564400E+04       2.2958629290E-05 
  3      2.6059641500E+04       1.7414014733E-04 
  4      9.3872797400E+03       5.6409342466E-04 
  5      3.3413655600E+03       2.0818687404E-03 
  6      1.1998802800E+03       7.4412230832E-03 
  7      4.2714085800E+02       2.6604563143E-02 
  8      1.5188380700E+02       9.1394255940E-02 
  9      5.4042110800E+01       2.8016209462E-01 
 10      1.9190428000E+01       6.8329347032E-01 
S   10
  1      1.6351715400E+05       3.8150914040E-05 
  2      7.0972564400E+04       3.0536563536E-05 
  3      2.6059641500E+04       2.3476447934E-04 
  4      9.3872797400E+03       7.5434524216E-04 
  5      3.3413655600E+03       2.7980316212E-03 
  6      1.1998802800E+03       9.9002990076E-03 
  7      4.2714085800E+02       3.5126588925E-02 
  8      1.5188380700E+02       1.1606632005E-01 
  9      5.4042110800E+01       3.2663835524E-01 
 10      1.9190428000E+01       6.1475692148E-01 
S   1
  1      6.8792679300E+00       1.0000000        
S   1
  1      2.4400452600E+00       1.0000000        
S   1
  1      8.6739387600E-01       1.0000000        
S   1
  1      3.0943561000E-01       1.0000000        
S   1
  1      1.1011816500E-01       1.0000000        
S   1
  1      3.9126282100E-02       1.0000000        
S   1
  1      1.4397592700E-02       1.0000000        
S   1
  1      6.2770191200E-03       1.0000000        
P   5
  1      1.3154398700E+02       9.6425541813E-03 
  2      6.4683529100E+01       1.3105057579E-02 
  3      2.7710073800E+01       8.1365770107E-02 
  4      1.1425678000E+01       2.6008694846E-01 
  5      4.7262221100E+00       7.2911369341E-01 
P   1
  1      1.9561848800E+00       1.0000000        
P   1
  1      8.0484654300E-01       1.0000000        
P   1
  1      3.3058691800E-01       1.0000000        
P   1
  1      1.3678029200E-01       1.0000000        
P   1
  1      5.7903449700E-02       1.0000000        
P   1
  1      2.8203720500E-02       1.0000000        
D   1
  1      1.3188370251E+00       1.0000000        
D   1
  1      6.8242525525E-01       1.0000000        
D   1
  1      3.5504167432E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: B
data:
BORON
S   10
  1      1.6351715400E+05       2.0874557374E-05 
  2      7.0972564400E+04       1.6011388499E-05 
  3      2.6059641500E+04       1.2929259158E-04 
  4      9.3872797400E+03       4.0523278229E-04 
  5      3.3413655600E+03       1.5429521180E-03 
  6      1.1998802800E+03       5.4043618983E-03 
  7      4.2714085800E+02       2.0006044819E-02 
  8      1.5188380700E+02       7.0193932364E-02 
  9      5.4042110800E+01       2.4377230098E-01 
 10      1.9190428000E+01       7.3603300144E-01 
S   10
  1      1.6351715400E+05       2.2983172124E-05 
  2      7.0972564400E+04       1.6842316735E-05 
  3      2.6059641500E+04       1.4331570969E-04 
  4      9.3872797400E+03       4.3686473725E-04 
  5      3.3413655600E+03       1.7038733724E-03 
  6      1.1998802800E+03       5.8403642426E-03 
  7      4.2714085800E+02       2.1925004806E-02 
  8      1.5188380700E+02       7.5079855201E-02 
  9      5.4042110800E+01       2.5747840684E-01 
 10      1.9190428000E+01       7.1885615068E-01 
S   1
  1      6.8792679300E+00       1.0000000        
S   1
  1      2.4400452600E+00       1.0000000        
S   1
  1      8.6739387600E-01       1.0000000        
S   1
  1      3.0943561000E-01       1.0000000        
S   1
  1      1.1011816500E-01       1.0000000        
S   1
  1      3.9126282100E-02       1.0000000        
S   1
  1      1.4397592700E-02       1.0000000        
S   1
  1      6.2770191200E-03       1.0000000        
P   5
  1      1.3154398700E+02       6.2683948403E-03 
  2      6.4683529100E+01       9.5060622809E-03 
  3      2.7710073800E+01       6.1573131729E-02 
  4      1.1425678000E+01       2.3047536706E-01 
  5      4.7262221100E+00       7.7017101099E-01 
P   1
  1      1.9561848800E+00       1.0000000        
P   1
  1      8.0484654300E-01       1.0000000        
P   1
  1      3.3058691800E-01       1.0000000        
P   1
  1      1.3678029200E-01       1.0000000        
P   1
  1      5.7903449700E-02       1.0000000        
P   1
  1      2.8203720500E-02       1.0000000        
D   1
  1      1.3188370251E+00       1.0000000        
D   1
  1      6.8242525525E-01       1.0000000        
D   1
  1      3.5504167432E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: O
data:
OXYGEN
S   10
  1      1.6351715400E+05       2.6071914925E-05 
  2      7.0972564400E+04       2.0383915360E-05 
  3      2.6059641500E+04       1.6106449869E-04 
  4      9.3872797400E+03       5.1038034129E-04 
  5      3.3413655600E+03       1.9218277917E-03 
  6      1.1998802800E+03       6.7665509425E-03 
  7      4.2714085800E+02       2.4638665376E-02 
  8      1.5188380700E+02       8.4624867033E-02 
  9      5.4042110800E+01       2.7057581156E-01 
 10      1.9190428000E+01       6.9835047117E-01 
S   10
  1      1.6351715400E+05       3.2622019998E-05 
  2      7.0972564400E+04       2.6683919470E-05 
  3      2.6059641500E+04       2.0002452166E-04 
  4      9.3872797400E+03       6.5199531091E-04 
  5      3.3413655600E+03       2.3906324611E-03 
  6      1.1998802800E+03       8.5681361748E-03 
  7      4.2714085800E+02       3.0334493726E-02 
  8      1.5188380700E+02       1.0301605658E-01 
  9      5.4042110800E+01       3.0224394949E-01 
 10      1.9190428000E+01       6.5136488930E-01 
S   1
  1      6.8792679300E+00       1.0000000        
S   1
  1      2.4400452600E+00       1.0000000        
S   1
  1      8.6739387600E-01       1.0000000        
S   1
  1      3.0943561000E-01       1.0000000        
S   1
  1      1.1011816500E-01       1.0000000        
S   1
  1      3.9126282100E-02       1.0000000        
S   1
  1      1.4397592700E-02       1.0000000        
S   1
  1      6.2770191200E-03       1.0000000        
P   5
  1      1.3154398700E+02       8.5199841282E-03 
  2      6.4683529100E+01       1.1787831819E-02 
  3      2.7710073800E+01       7.4600947028E-02 
  4      1.1425678000E+01       2.4554904309E-01 
  5      4.7262221100E+00       7.4743733444E-01 
P   1
  1      1.9561848800E+00       1.0000000        
P   1
  1      8.0484654300E-01       1.0000000        
P   1
  1      3.3058691800E-01       1.0000000        
P   1
  1      1.3678029200E-01       1.0000000        
P   1
  1      5.7903449700E-02       1.0000000        
P   1
  1      2.8203720500E-02       1.0000000        
D   1
  1      1.3188370251E+00       1.0000000        
D   1
  1      6.8242525525E-01       1.0000000        
D   1
  1      3.5504167432E-01       1.0000000        
F   1
  1      8.4139514165E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Mg
data:
MAGNESIUM
S   8
  1      1.6556384600E+05       8.0710344608E-04 
  2      8.1904499800E+04       5.5016355428E-05 
  3      3.4304795100E+04       3.1561869261E-03 
  4      1.3846808000E+04       7.6655514820E-03 
  5      5.5335141600E+03       2.5336090713E-02 
  6      2.2162278700E+03       7.9573223714E-02 
  7      8.7744118000E+02       2.4195052379E-01 
  8      3.4901110900E+02       7.1582300442E-01 
S   8
  1      1.6556384600E+05       7.9346786738E-04 
  2      8.1904499800E+04       4.7084683479E-05 
  3      3.4304795100E+04       3.1146666041E-03 
  4      1.3846808000E+04       7.4755706005E-03 
  5      5.5335141600E+03       2.5017250394E-02 
  6      2.2162278700E+03       7.8028971880E-02 
  7      8.7744118000E+02       2.4071633386E-01 
  8      3.4901110900E+02       7.1836161933E-01 
S   8
  1      1.6556384600E+05       7.8116567488E-04 
  2      8.1904499800E+04       4.1980108025E-05 
  3      3.4304795100E+04       3.0739048681E-03 
  4      1.3846808000E+04       7.3229467180E-03 
  5      5.5335141600E+03       2.4707019087E-02 
  6      2.2162278700E+03       7.6769194955E-02 
  7      8.7744118000E+02       2.3935528071E-01 
  8      3.4901110900E+02       7.2079312403E-01 
S   1
  1      1.3854086900E+02       1.0000000        
S   1
  1      5.5071639700E+01       1.0000000        
S   1
  1      2.1833759500E+01       1.0000000        
S   1
  1      8.6769475000E+00       1.0000000        
S   1
  1      3.4319608000E+00       1.0000000        
S   1
  1      1.3531521900E+00       1.0000000        
S   1
  1      5.3715430100E-01       1.0000000        
S   1
  1      2.1154529300E-01       1.0000000        
S   1
  1      8.3354421000E-02       1.0000000        
S   1
  1      3.2682738400E-02       1.0000000        
S   1
  1      1.2847262000E-02       1.0000000        
S   1
  1      5.0861362700E-03       1.0000000        
S   1
  1      2.0702534200E-03       1.0000000        
S   1
  1      1.0102822100E-03       1.0000000        
P   8
  1      2.8454939200E+02       1.9259889832E-03 
  2      1.3793850600E+02       2.8370997173E-03 
  3      5.8346950200E+01       1.8278071630E-02 
  4      2.3743844300E+01       6.1476121218E-02 
  5      9.7488763100E+00       1.8079012875E-01 
  6      3.9648175100E+00       3.4496079440E-01 
  7      1.6172179000E+00       4.0097791737E-01 
  8      6.5953911700E-01       2.1617209780E-01 
P   1
  1      2.7449532000E-01       1.0000000        
P   1
  1      1.3266970800E-01       1.0000000        
D   1
  1      8.4245360550E-02       1.0000000        
D   1
  1      4.6045525866E-02       1.0000000        
F   1
  1      4.8696752517E-02       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Na
data:
SODIUM
S   8
  1      1.6556384600E+05       7.6798611039E-04 
  2      8.1904499800E+04       3.1513399846E-05 
  3      3.4304795100E+04       3.0376493878E-03 
  4      1.3846808000E+04       7.1136160386E-03 
  5      5.5335141600E+03       2.4423110970E-02 
  6      2.2162278700E+03       7.5082917675E-02 
  7      8.7744118000E+02       2.3843071872E-01 
  8      3.4901110900E+02       7.2311660305E-01 
S   8
  1      1.6556384600E+05       7.6986564532E-04 
  2      8.1904499800E+04       3.2906513227E-05 
  3      3.4304795100E+04       3.0428897004E-03 
  4      1.3846808000E+04       7.1425639000E-03 
  5      5.5335141600E+03       2.4463818160E-02 
  6      2.2162278700E+03       7.5316269040E-02 
  7      8.7744118000E+02       2.3856602689E-01 
  8      3.4901110900E+02       7.2278760876E-01 
S   8
  1      1.6556384600E+05       7.8516343224E-04 
  2      8.1904499800E+04       4.2738909164E-05 
  3      3.4304795100E+04       3.0879626012E-03 
  4      1.3846808000E+04       7.3643260947E-03 
  5      5.5335141600E+03       2.4811552175E-02 
  6      2.2162278700E+03       7.7114199947E-02 
  7      8.7744118000E+02       2.3984798892E-01 
  8      3.4901110900E+02       7.2000274343E-01 
S   1
  1      1.3854086900E+02       1.0000000        
S   1
  1      5.5071639700E+01       1.0000000        
S   1
  1      2.1833759500E+01       1.0000000        
S   1
  1      8.6769475000E+00       1.0000000        
S   1
  1      3.4319608000E+00       1.0000000        
S   1
  1      1.3531521900E+00       1.0000000        
S   1
  1      5.3715430100E-01       1.0000000        
S   1
  1      2.1154529300E-01       1.0000000        
S   1
  1      8.3354421000E-02       1.0000000        
S   1
  1      3.2682738400E-02       1.0000000        
S   1
  1      1.2847262000E-02       1.0000000        
S   1
  1      5.0861362700E-03       1.0000000        
S   1
  1      2.0702534200E-03       1.0000000        
S   1
  1      1.0102822100E-03       1.0000000        
P   8
  1      2.8454939200E+02       1.3759602838E-03 
  2      1.3793850600E+02       2.0280736826E-03 
  3      5.8346950200E+01       1.3374693121E-02 
  4      2.3743844300E+01       4.5883392252E-02 
  5      9.7488763100E+00       1.4381514342E-01 
  6      3.9648175100E+00       3.0346086165E-01 
  7      1.6172179000E+00       4.0280093262E-01 
  8      6.5953911700E-01       3.0803246672E-01 
P   1
  1      2.7449532000E-01       1.0000000        
P   1
  1      1.3266970800E-01       1.0000000        
D   1
  1      8.4245360550E-02       1.0000000        
D   1
  1      4.6045525866E-02       1.0000000        
F   1
  1      4.8696752517E-02       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Ar
data:
ARGON
S   6
  1      4.0433181400E+05       3.2735497195E-03 
  2      1.7690028600E+05       2.0625103993E-03 
  3      6.5767711800E+04       1.9965339018E-02 
  4      2.3671626400E+04       5.8116800289E-02 
  5      8.5484255500E+03       2.2725251251E-01 
  6      3.0680191100E+03       7.5891267475E-01 
S   6
  1      4.0433181400E+05       3.2065059095E-03 
  2      1.7690028600E+05       2.1523840400E-03 
  3      6.5767711800E+04       1.9396021824E-02 
  4      2.3671626400E+04       5.8496453270E-02 
  5      8.5484255500E+03       2.2193845381E-01 
  6      3.0680191100E+03       7.6381987028E-01 
S   6
  1      4.0433181400E+05       3.0068601902E-03 
  2      1.7690028600E+05       2.2693710159E-03 
  3      6.5767711800E+04       1.7905893505E-02 
  4      2.3671626400E+04       5.8032770246E-02 
  5      8.5484255500E+03       2.0909049514E-01 
  6      3.0680191100E+03       7.7661939026E-01 
S   1
  1      1.1031738900E+03       1.0000000        
S   1
  1      3.9712618200E+02       1.0000000        
S   1
  1      1.4254789300E+02       1.0000000        
S   1
  1      5.0916292600E+01       1.0000000        
S   1
  1      1.8272971000E+01       1.0000000        
S   1
  1      6.5402101000E+00       1.0000000        
S   1
  1      2.3518988600E+00       1.0000000        
S   1
  1      8.4035197000E-01       1.0000000        
S   1
  1      3.0155360400E-01       1.0000000        
S   1
  1      1.0777601800E-01       1.0000000        
S   1
  1      3.8921227300E-02       1.0000000        
S   1
  1      1.4392556500E-02       1.0000000        
S   1
  1      6.2940348500E-03       1.0000000        
P   6
  1      5.7706823600E+02       2.9615175542E-03 
  2      2.5207106900E+02       7.5913801726E-03 
  3      9.5217348600E+01       4.4239342834E-02 
  4      3.5345389600E+01       1.6590934502E-01 
  5      1.3068093300E+01       4.2653208052E-01 
  6      4.8232047200E+00       5.1594688750E-01 
P   6
  1      5.7706823600E+02       4.6496868562E-03 
  2      2.5207106900E+02       1.0647949509E-02 
  3      9.5217348600E+01       6.6143746640E-02 
  4      3.5345389600E+01       2.1391846716E-01 
  5      1.3068093300E+01       5.0971411992E-01 
  6      4.8232047200E+00       3.7119882221E-01 
P   1
  1      1.7761826300E+00       1.0000000        
P   1
  1      6.5619599500E-01       1.0000000        
P   1
  1      2.4018161400E-01       1.0000000        
P   1
  1      8.8334173900E-02       1.0000000        
P   1
  1      3.2877466800E-02       1.0000000        
P   1
  1      1.3959966500E-02       1.0000000        
D   1
  1      7.4792238698E-01       1.0000000        
D   1
  1      3.0805232582E-01       1.0000000        
D   1
  1      1.2566803415E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: P
data:
PHOSPHORUS
S   6
  1      4.0433181400E+05       3.0766851205E-03 
  2      1.7690028600E+05       2.2985416993E-03 
  3      6.5767711800E+04       1.8324933678E-02 
  4      2.3671626400E+04       5.8935056054E-02 
  5      8.5484255500E+03       2.1212112985E-01 
  6      3.0680191100E+03       7.7304566802E-01 
S   6
  1      4.0433181400E+05       3.1217864581E-03 
  2      1.7690028600E+05       2.1713708579E-03 
  3      6.5767711800E+04       1.8798583564E-02 
  4      2.3671626400E+04       5.7974664677E-02 
  5      8.5484255500E+03       2.1699962420E-01 
  6      3.0680191100E+03       7.6899115761E-01 
S   6
  1      4.0433181400E+05       3.1563226590E-03 
  2      1.7690028600E+05       2.1974189227E-03 
  3      6.5767711800E+04       1.8993500952E-02 
  4      2.3671626400E+04       5.8544632003E-02 
  5      8.5484255500E+03       2.1833090591E-01 
  6      3.0680191100E+03       7.6729424539E-01 
S   1
  1      1.1031738900E+03       1.0000000        
S   1
  1      3.9712618200E+02       1.0000000        
S   1
  1      1.4254789300E+02       1.0000000        
S   1
  1      5.0916292600E+01       1.0000000        
S   1
  1      1.8272971000E+01       1.0000000        
S   1
  1      6.5402101000E+00       1.0000000        
S   1
  1      2.3518988600E+00       1.0000000        
S   1
  1      8.4035197000E-01       1.0000000        
S   1
  1      3.0155360400E-01       1.0000000        
S   1
  1      1.0777601800E-01       1.0000000        
S   1
  1      3.8921227300E-02       1.0000000        
S   1
  1      1.4392556500E-02       1.0000000        
S   1
  1      6.2940348500E-03       1.0000000        
P   6
  1      5.7706823600E+02       1.6398531975E-03 
  2      2.5207106900E+02       4.4465845066E-03 
  3      9.5217348600E+01       2.6193386950E-02 
  4      3.5345389600E+01       1.1080968979E-01 
  5      1.3068093300E+01       3.4927911505E-01 
  6      4.8232047200E+00       6.4102840472E-01 
P   6
  1      5.7706823600E+02       1.7697094456E-03 
  2      2.5207106900E+02       4.8031708258E-03 
  3      9.5217348600E+01       2.8050305475E-02 
  4      3.5345389600E+01       1.1684531525E-01 
  5      1.3068093300E+01       3.5713938747E-01 
  6      4.8232047200E+00       6.2871110574E-01 
P   1
  1      1.7761826300E+00       1.0000000        
P   1
  1      6.5619599500E-01       1.0000000        
P   1
  1      2.4018161400E-01       1.0000000        
P   1
  1      8.8334173900E-02       1.0000000        
P   1
  1      3.2877466800E-02       1.0000000        
P   1
  1      1.3959966500E-02       1.0000000        
D   1
  1      7.4792238698E-01       1.0000000        
D   1
  1      3.0805232582E-01       1.0000000        
D   1
  1      1.2566803415E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Cl
data:
CHLORINE
S   6
  1      4.0433181400E+05       3.1515228843E-03 
  2      1.7690028600E+05       2.1707269238E-03 
  3      6.5767711800E+04       1.9002264536E-02 
  4      2.3671626400E+04       5.8221764792E-02 
  5      8.5484255500E+03       2.1864676304E-01 
  6      3.0680191100E+03       7.6721666904E-01 
S   6
  1      4.0433181400E+05       3.1458106408E-03 
  2      1.7690028600E+05       2.1790085921E-03 
  3      6.5767711800E+04       1.8952914394E-02 
  4      2.3671626400E+04       5.8260708243E-02 
  5      8.5484255500E+03       2.1818187359E-01 
  6      3.0680191100E+03       7.6764082329E-01 
S   6
  1      4.0433181400E+05       3.1962931499E-03 
  2      1.7690028600E+05       2.1568507605E-03 
  3      6.5767711800E+04       1.9319608616E-02 
  4      2.3671626400E+04       5.8456598165E-02 
  5      8.5484255500E+03       2.2128740679E-01 
  6      3.0680191100E+03       7.6448174732E-01 
S   1
  1      1.1031738900E+03       1.0000000        
S   1
  1      3.9712618200E+02       1.0000000        
S   1
  1      1.4254789300E+02       1.0000000        
S   1
  1      5.0916292600E+01       1.0000000        
S   1
  1      1.8272971000E+01       1.0000000        
S   1
  1      6.5402101000E+00       1.0000000        
S   1
  1      2.3518988600E+00       1.0000000        
S   1
  1      8.4035197000E-01       1.0000000        
S   1
  1      3.0155360400E-01       1.0000000        
S   1
  1      1.0777601800E-01       1.0000000        
S   1
  1      3.8921227300E-02       1.0000000        
S   1
  1      1.4392556500E-02       1.0000000        
S   1
  1      6.2940348500E-03       1.0000000        
P   6
  1      5.7706823600E+02       2.1787463840E-03 
  2      2.5207106900E+02       5.9836767858E-03 
  3      9.5217348600E+01       3.3748500320E-02 
  4      3.5345389600E+01       1.3815440404E-01 
  5      1.3068093300E+01       3.8061511217E-01 
  6      4.8232047200E+00       5.8854983759E-01 
P   6
  1      5.7706823600E+02       2.5101460743E-03 
  2      2.5207106900E+02       6.5454320605E-03 
  3      9.5217348600E+01       3.8204953714E-02 
  4      3.5345389600E+01       1.4832064413E-01 
  5      1.3068093300E+01       4.0347481592E-01 
  6      4.8232047200E+00       5.5606387586E-01 
P   1
  1      1.7761826300E+00       1.0000000        
P   1
  1      6.5619599500E-01       1.0000000        
P   1
  1      2.4018161400E-01       1.0000000        
P   1
  1      8.8334173900E-02       1.0000000        
P   1
  1      3.2877466800E-02       1.0000000        
P   1
  1      1.3959966500E-02       1.0000000        
D   1
  1      7.4792238698E-01       1.0000000        
D   1
  1      3.0805232582E-01       1.0000000        
D   1
  1      1.2566803415E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Al
data:
ALUMINUM
S   6
  1      4.0433181400E+05       3.1043246241E-03 
  2      1.7690028600E+05       2.2284628056E-03 
  3      6.5767711800E+04       1.8600138742E-02 
  4      2.3671626400E+04       5.8428989253E-02 
  5      8.5484255500E+03       2.1491099950E-01 
  6      3.0680191100E+03       7.7069681970E-01 
S   6
  1      4.0433181400E+05       3.1142486885E-03 
  2      1.7690028600E+05       2.2109589719E-03 
  3      6.5767711800E+04       1.8690101831E-02 
  4      2.3671626400E+04       5.8328567790E-02 
  5      8.5484255500E+03       2.1577987449E-01 
  6      3.0680191100E+03       7.6992456785E-01 
S   6
  1      4.0433181400E+05       3.1143802639E-03 
  2      1.7690028600E+05       2.2493439529E-03 
  3      6.5767711800E+04       1.8638895360E-02 
  4      2.3671626400E+04       5.8735527239E-02 
  5      8.5484255500E+03       2.1504787777E-01 
  6      3.0680191100E+03       7.7034755200E-01 
S   1
  1      1.1031738900E+03       1.0000000        
S   1
  1      3.9712618200E+02       1.0000000        
S   1
  1      1.4254789300E+02       1.0000000        
S   1
  1      5.0916292600E+01       1.0000000        
S   1
  1      1.8272971000E+01       1.0000000        
S   1
  1      6.5402101000E+00       1.0000000        
S   1
  1      2.3518988600E+00       1.0000000        
S   1
  1      8.4035197000E-01       1.0000000        
S   1
  1      3.0155360400E-01       1.0000000        
S   1
  1      1.0777601800E-01       1.0000000        
S   1
  1      3.8921227300E-02       1.0000000        
S   1
  1      1.4392556500E-02       1.0000000        
S   1
  1      6.2940348500E-03       1.0000000        
P   6
  1      5.7706823600E+02       1.2562598445E-03 
  2      2.5207106900E+02       3.2692915514E-03 
  3      9.5217348600E+01       2.0646828935E-02 
  4      3.5345389600E+01       8.8443821233E-02 
  5      1.3068093300E+01       3.1868614940E-01 
  6      4.8232047200E+00       6.8623334308E-01 
P   6
  1      5.7706823600E+02       1.2937662617E-03 
  2      2.5207106900E+02       3.4812567699E-03 
  3      9.5217348600E+01       2.1247502280E-02 
  4      3.5345389600E+01       9.1749774543E-02 
  5      1.3068093300E+01       3.1922477817E-01 
  6      4.8232047200E+00       6.8352012514E-01 
P   1
  1      1.7761826300E+00       1.0000000        
P   1
  1      6.5619599500E-01       1.0000000        
P   1
  1      2.4018161400E-01       1.0000000        
P   1
  1      8.8334173900E-02       1.0000000        
P   1
  1      3.2877466800E-02       1.0000000        
P   1
  1      1.3959966500E-02       1.0000000        
D   1
  1      7.4792238698E-01       1.0000000        
D   1
  1      3.0805232582E-01       1.0000000        
D   1
  1      1.2566803415E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: Si
data:
SILICON
S   6
  1      4.0433181400E+05       3.0756776358E-03 
  2      1.7690028600E+05       2.2920416227E-03 
  3      6.5767711800E+04       1.8324882476E-02 
  4      2.3671626400E+04       5.8857299338E-02 
  5      8.5484255500E+03       2.1217183429E-01 
  6      3.0680191100E+03       7.7305125436E-01 
S   6
  1      4.0433181400E+05       3.1230212446E-03 
  2      1.7690028600E+05       2.1995178091E-03 
  3      6.5767711800E+04       1.8766343695E-02 
  4      2.3671626400E+04       5.8282645126E-02 
  5      8.5484255500E+03       2.1649258441E-01 
  6      3.0680191100E+03       7.6926531166E-01 
S   6
  1      4.0433181400E+05       3.1343731118E-03 
  2      1.7690028600E+05       2.2253227906E-03 
  3      6.5767711800E+04       1.8807025636E-02 
  4      2.3671626400E+04       5.8652316107E-02 
  5      8.5484255500E+03       2.1659971536E-01 
  6      3.0680191100E+03       7.6889981083E-01 
S   1
  1      1.1031738900E+03       1.0000000        
S   1
  1      3.9712618200E+02       1.0000000        
S   1
  1      1.4254789300E+02       1.0000000        
S   1
  1      5.0916292600E+01       1.0000000        
S   1
  1      1.8272971000E+01       1.0000000        
S   1
  1      6.5402101000E+00       1.0000000        
S   1
  1      2.3518988600E+00       1.0000000        
S   1
  1      8.4035197000E-01       1.0000000        
S   1
  1      3.0155360400E-01       1.0000000        
S   1
  1      1.0777601800E-01       1.0000000        
S   1
  1      3.8921227300E-02       1.0000000        
S   1
  1      1.4392556500E-02       1.0000000        
S   1
  1      6.2940348500E-03       1.0000000        
P   6
  1      5.7706823600E+02       1.4384988756E-03 
  2      2.5207106900E+02       3.8092833784E-03 
  3      9.5217348600E+01       2.3299656114E-02 
  4      3.5345389600E+01       9.9064469460E-02 
  5      1.3068093300E+01       3.3523258095E-01 
  6      4.8232047200E+00       6.6310092397E-01 
P   6
  1      5.7706823600E+02       1.5051562546E-03 
  2      2.5207106900E+02       4.1011058764E-03 
  3      9.5217348600E+01       2.4307012260E-02 
  4      3.5345389600E+01       1.0361427983E-01 
  5      1.3068093300E+01       3.3737295468E-01 
  6      4.8232047200E+00       6.5782666332E-01 
P   1
  1      1.7761826300E+00       1.0000000        
P   1
  1      6.5619599500E-01       1.0000000        
P   1
  1      2.4018161400E-01       1.0000000        
P   1
  1      8.8334173900E-02       1.0000000        
P   1
  1      3.2877466800E-02       1.0000000        
P   1
  1      1.3959966500E-02       1.0000000        
D   1
  1      7.4792238698E-01       1.0000000        
D   1
  1      3.0805232582E-01       1.0000000        
D   1
  1      1.2566803415E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000


name: pcemd-4
description: The pcemd-4 basis set
elt: S
data:
SULFUR
S   6
  1      4.0433181400E+05       3.1104590580E-03 
  2      1.7690028600E+05       2.2412396098E-03 
  3      6.5767711800E+04       1.8630273118E-02 
  4      2.3671626400E+04       5.8617338100E-02 
  5      8.5484255500E+03       2.1505958554E-01 
  6      3.0680191100E+03       7.7041999190E-01 
S   6
  1      4.0433181400E+05       3.1416814002E-03 
  2      1.7690028600E+05       2.1720266152E-03 
  3      6.5767711800E+04       1.8932622585E-02 
  4      2.3671626400E+04       5.8151430604E-02 
  5      8.5484255500E+03       2.1807265848E-01 
  6      3.0680191100E+03       7.6782412243E-01 
S   6
  1      4.0433181400E+05       3.1780079238E-03 
  2      1.7690028600E+05       2.1735442076E-03 
  3      6.5767711800E+04       1.9172761869E-02 
  4      2.3671626400E+04       5.8477187611E-02 
  5      8.5484255500E+03       2.1996956777E-01 
  6      3.0680191100E+03       7.6574905325E-01 
S   1
  1      1.1031738900E+03       1.0000000        
S   1
  1      3.9712618200E+02       1.0000000        
S   1
  1      1.4254789300E+02       1.0000000        
S   1
  1      5.0916292600E+01       1.0000000        
S   1
  1      1.8272971000E+01       1.0000000        
S   1
  1      6.5402101000E+00       1.0000000        
S   1
  1      2.3518988600E+00       1.0000000        
S   1
  1      8.4035197000E-01       1.0000000        
S   1
  1      3.0155360400E-01       1.0000000        
S   1
  1      1.0777601800E-01       1.0000000        
S   1
  1      3.8921227300E-02       1.0000000        
S   1
  1      1.4392556500E-02       1.0000000        
S   1
  1      6.2940348500E-03       1.0000000        
P   6
  1      5.7706823600E+02       1.8679012175E-03 
  2      2.5207106900E+02       5.1714597530E-03 
  3      9.5217348600E+01       2.9423822867E-02 
  4      3.5345389600E+01       1.2357284862E-01 
  5      1.3068093300E+01       3.6189135979E-01 
  6      4.8232047200E+00       6.1901003136E-01 
P   6
  1      5.7706823600E+02       2.1015312410E-03 
  2      2.5207106900E+02       5.6057281532E-03 
  3      9.5217348600E+01       3.2649031581E-02 
  4      3.5345389600E+01       1.3165304033E-01 
  5      1.3068093300E+01       3.7929345604E-01 
  6      4.8232047200E+00       5.9489831367E-01 
P   1
  1      1.7761826300E+00       1.0000000        
P   1
  1      6.5619599500E-01       1.0000000        
P   1
  1      2.4018161400E-01       1.0000000        
P   1
  1      8.8334173900E-02       1.0000000        
P   1
  1      3.2877466800E-02       1.0000000        
P   1
  1      1.3959966500E-02       1.0000000        
D   1
  1      7.4792238698E-01       1.0000000        
D   1
  1      3.0805232582E-01       1.0000000        
D   1
  1      1.2566803415E-01       1.0000000        
F   1
  1      3.7046740221E-01       1.0000000


name: pcS-4
description: N/A
elt: H
data:
HYDROGEN
S   5
  1      0.307967E+04           0.815918E-03     
  2      0.461515E+03           0.645792E-02     
  3      0.105058E+03           0.330621E-01     
  4      0.297641E+02           0.144666E+00     
  5      0.971826E+01           0.500000E+00     
S   1
  1      0.351795E+01           1.0000000        
S   1
  1      0.137696E+01           1.0000000        
S   1
  1      0.568306E+00           1.0000000        
S   1
  1      0.243407E+00           1.0000000        
S   1
  1      0.105053E+00           1.0000000        
S   1
  1      0.441983E-01           1.0000000        
P   2
  1      0.180000E+03           0.352640E-01     
  2      0.300000E+02           0.500000E+00     
P   1
  1      0.660000E+01           1.0000000        
P   1
  1      0.210000E+01           1.0000000        
P   1
  1      0.950000E+00           1.0000000        
P   1
  1      0.450000E+00           1.0000000        
P   1
  1      0.150000E+00           1.0000000        
D   1
  1      0.210000E+01           1.0000000        
D   1
  1      0.700000E+00           1.0000000        
D   1
  1      0.300000E+00           1.0000000        
F   1
  1      0.250000E+01           1.0000000        
F   1
  1      0.900000E+00           1.0000000        
G   1
  1      0.320000E+01           1.0000000


name: pcS-4
description: N/A
elt: He
data:
HELIUM
S   5
  1      0.878017E+04           0.826480E-03     
  2      0.131561E+04           0.646060E-02     
  3      0.299460E+03           0.336171E-01     
  4      0.848329E+02           0.142766E+00     
  5      0.276909E+02           0.500000E+00     
S   1
  1      0.100079E+02           1.0000000        
S   1
  1      0.389242E+01           1.0000000        
S   1
  1      0.158195E+01           1.0000000        
S   1
  1      0.656977E+00           1.0000000        
S   1
  1      0.264585E+00           1.0000000        
S   1
  1      0.105847E+00           1.0000000        
P   2
  1      0.243000E+03           0.303650E-01     
  2      0.405000E+02           0.500000E+00     
P   1
  1      0.890000E+01           1.0000000        
P   1
  1      0.285000E+01           1.0000000        
P   1
  1      0.130000E+01           1.0000000        
P   1
  1      0.600000E+00           1.0000000        
P   1
  1      0.200000E+00           1.0000000        
D   1
  1      0.370000E+01           1.0000000        
D   1
  1      0.120000E+01           1.0000000        
D   1
  1      0.500000E+00           1.0000000        
F   1
  1      0.410000E+01           1.0000000        
F   1
  1      0.150000E+01           1.0000000        
G   1
  1      0.465000E+01           1.0000000


name: pcS-4
description: N/A
elt: Li
data:
LITHIUM
S   12
  1      0.706806E+05           0.109522E-04     
  2      0.135936E+05           0.661920E-04     
  3      0.310040E+04           0.387255E-03     
  4      0.826461E+03           0.177974E-02     
  5      0.253761E+03           0.699231E-02     
  6      0.884509E+02           0.225431E-01     
  7      0.344927E+02           0.635165E-01     
  8      0.148312E+02           0.141576E+00     
  9      0.692988E+01           0.262097E+00     
 10      0.346776E+01           0.433690E+00     
 11      0.183156E+01           0.341150E+00     
 12      0.100628E+01           0.500000E+00     
S   10
  1      0.826461E+03          -0.129462E-04     
  2      0.253761E+03           0.111200E-04     
  3      0.884509E+02          -0.317996E-03     
  4      0.344927E+02          -0.364513E-03     
  5      0.148312E+02          -0.511861E-02     
  6      0.692988E+01          -0.207762E-01     
  7      0.346776E+01          -0.166561E-01     
  8      0.183156E+01          -0.234089E+00     
  9      0.100628E+01           0.652938E-01     
 10      0.566783E+00          -0.500000E+00     
S   1
  1      0.322545E+00           1.0000000        
S   1
  1      0.182774E+00           1.0000000        
S   1
  1      0.101640E+00           1.0000000        
S   1
  1      0.546659E-01           1.0000000        
S   1
  1      0.280249E-01           1.0000000        
S   1
  1      0.134966E-01           1.0000000        
P   2
  1      0.185250E+03           0.324194E-01     
  2      0.285000E+02           0.500000E+00     
P   1
  1      0.664000E+01           1.0000000        
P   1
  1      0.192000E+01           1.0000000        
P   1
  1      0.770000E+00           1.0000000        
P   1
  1      0.320000E+00           1.0000000        
P   1
  1      0.150000E+00           1.0000000        
P   1
  1      0.660000E-01           1.0000000        
P   1
  1      0.250000E-01           1.0000000        
D   1
  1      0.175000E+01           1.0000000        
D   1
  1      0.300000E+00           1.0000000        
D   1
  1      0.110000E+00           1.0000000        
F   1
  1      0.500000E+00           1.0000000        
F   1
  1      0.200000E+00           1.0000000        
G   1
  1      0.550000E+00           1.0000000


name: pcS-4
description: N/A
elt: Be
data:
BERYLLIUM
S   12
  1      0.139328E+06           0.100003E-04     
  2      0.267740E+05           0.609833E-04     
  3      0.611199E+04           0.352245E-03     
  4      0.163294E+04           0.163262E-02     
  5      0.503034E+03           0.628769E-02     
  6      0.176031E+03           0.206093E-01     
  7      0.689394E+02           0.563170E-01     
  8      0.297684E+02           0.134065E+00     
  9      0.139629E+02           0.232634E+00     
 10      0.700895E+01           0.436218E+00     
 11      0.370944E+01           0.374827E+00     
 12      0.203923E+01           0.500000E+00     
S   10
  1      0.163294E+04           0.247240E-05     
  2      0.503034E+03          -0.179541E-04     
  3      0.176031E+03          -0.287965E-04     
  4      0.689394E+02          -0.101361E-02     
  5      0.297684E+02          -0.184772E-02     
  6      0.139629E+02          -0.252092E-01     
  7      0.700895E+01          -0.233736E-01     
  8      0.370944E+01          -0.198679E+00     
  9      0.203923E+01          -0.544838E-01     
 10      0.114723E+01          -0.500000E+00     
S   1
  1      0.650699E+00           1.0000000        
S   1
  1      0.366591E+00           1.0000000        
S   1
  1      0.202106E+00           1.0000000        
S   1
  1      0.107422E+00           1.0000000        
S   1
  1      0.542308E-01           1.0000000        
S   1
  1      0.256191E-01           1.0000000        
P   2
  1      0.297050E+03           0.389544E-01     
  2      0.457000E+02           0.500000E+00     
P   1
  1      0.106000E+02           1.0000000        
P   1
  1      0.308000E+01           1.0000000        
P   1
  1      0.123000E+01           1.0000000        
P   1
  1      0.510000E+00           1.0000000        
P   1
  1      0.230000E+00           1.0000000        
P   1
  1      0.106000E+00           1.0000000        
P   1
  1      0.400000E-01           1.0000000        
D   1
  1      0.335000E+01           1.0000000        
D   1
  1      0.570000E+00           1.0000000        
D   1
  1      0.210000E+00           1.0000000        
F   1
  1      0.750000E+00           1.0000000        
F   1
  1      0.300000E+00           1.0000000        
G   1
  1      0.800000E+00           1.0000000


name: pcS-4
description: N/A
elt: B
data:
BORON
S   11
  1      0.742499E+06           0.743340E-05     
  2      0.110930E+06           0.581523E-04     
  3      0.252031E+05           0.306012E-03     
  4      0.712926E+04           0.129665E-02     
  5      0.232470E+04           0.470611E-02     
  6      0.839052E+03           0.153206E-01     
  7      0.327789E+03           0.446104E-01     
  8      0.136722E+03           0.117341E+00     
  9      0.602936E+02           0.262799E+00     
 10      0.277313E+02           0.500000E+00     
 11      0.129925E+02           0.337436E+00     
S   9
  1      0.712926E+04           0.400170E-05     
  2      0.232470E+04          -0.102134E-04     
  3      0.839052E+03           0.302291E-04     
  4      0.327789E+03          -0.407818E-03     
  5      0.136722E+03          -0.112517E-02     
  6      0.602936E+02          -0.122469E-01     
  7      0.277313E+02          -0.386318E-01     
  8      0.129925E+02          -0.262635E+00     
  9      0.625514E+01          -0.500000E+00     
S   1
  1      0.314720E+01           1.0000000        
S   1
  1      0.156268E+01           1.0000000        
S   1
  1      0.740663E+00           1.0000000        
S   1
  1      0.312902E+00           1.0000000        
S   1
  1      0.131424E+00           1.0000000        
S   1
  1      0.547071E-01           1.0000000        
P   3
  1      0.148096E+04           0.256754E-02     
  2      0.227840E+03           0.679494E-01     
  3      0.539221E+02           0.500000E+00     
P   1
  1      0.170481E+02           1.0000000        
P   1
  1      0.600196E+01           1.0000000        
P   1
  1      0.260659E+01           1.0000000        
P   1
  1      0.119622E+01           1.0000000        
P   1
  1      0.569666E+00           1.0000000        
P   1
  1      0.273773E+00           1.0000000        
P   1
  1      0.128802E+00           1.0000000        
P   1
  1      0.596530E-01           1.0000000        
P   1
  1      0.261899E-01           1.0000000        
D   1
  1      0.530000E+01           1.0000000        
D   1
  1      0.190000E+01           1.0000000        
D   1
  1      0.750000E+00           1.0000000        
D   1
  1      0.350000E+00           1.0000000        
D   1
  1      0.160000E+00           1.0000000        
D   1
  1      0.600000E-01           1.0000000        
F   1
  1      0.190000E+01           1.0000000        
F   1
  1      0.800000E+00           1.0000000        
F   1
  1      0.350000E+00           1.0000000        
G   1
  1      0.165000E+01           1.0000000        
G   1
  1      0.700000E+00           1.0000000        
H   1
  1      0.175000E+01           1.0000000


name: pcS-4
description: N/A
elt: C
data:
CARBON
S   11
  1      0.527777E+06           0.687310E-05     
  2      0.791055E+05           0.528798E-04     
  3      0.180064E+05           0.282026E-03     
  4      0.510083E+04           0.116841E-02     
  5      0.166465E+04           0.434260E-02     
  6      0.601664E+03           0.135997E-01     
  7      0.235397E+03           0.408198E-01     
  8      0.982634E+02           0.991864E-01     
  9      0.432689E+02           0.232556E+00     
 10      0.198583E+02           0.317606E+00     
 11      0.956918E+01           0.500000E+00     
S   10
  1      0.180064E+05           0.137400E-05     
  2      0.510083E+04          -0.196589E-04     
  3      0.166465E+04           0.366466E-04     
  4      0.601664E+03          -0.394561E-03     
  5      0.235397E+03           0.151784E-03     
  6      0.982634E+02          -0.767721E-02     
  7      0.432689E+02          -0.917746E-02     
  8      0.198583E+02          -0.134116E+00     
  9      0.956918E+01          -0.170122E+00     
 10      0.493732E+01          -0.500000E+00     
S   1
  1      0.266874E+01           1.0000000        
S   1
  1      0.146739E+01           1.0000000        
S   1
  1      0.638634E+00           1.0000000        
S   1
  1      0.302399E+00           1.0000000        
S   1
  1      0.141161E+00           1.0000000        
S   1
  1      0.637490E-01           1.0000000        
P   3
  1      0.248433E+04           0.265449E-02     
  2      0.382205E+03           0.577005E-01     
  3      0.904894E+02           0.500000E+00     
P   1
  1      0.288706E+02           1.0000000        
P   1
  1      0.103854E+02           1.0000000        
P   1
  1      0.449718E+01           1.0000000        
P   1
  1      0.202740E+01           1.0000000        
P   1
  1      0.951542E+00           1.0000000        
P   1
  1      0.448145E+00           1.0000000        
P   1
  1      0.207211E+00           1.0000000        
P   1
  1      0.948698E-01           1.0000000        
P   1
  1      0.408427E-01           1.0000000        
D   1
  1      0.840000E+01           1.0000000        
D   1
  1      0.300000E+01           1.0000000        
D   1
  1      0.120000E+01           1.0000000        
D   1
  1      0.550000E+00           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
D   1
  1      0.100000E+00           1.0000000        
F   1
  1      0.210000E+01           1.0000000        
F   1
  1      0.900000E+00           1.0000000        
F   1
  1      0.400000E+00           1.0000000        
G   1
  1      0.210000E+01           1.0000000        
G   1
  1      0.900000E+00           1.0000000        
H   1
  1      0.185000E+01           1.0000000


name: pcS-4
description: N/A
elt: N
data:
NITROGEN
S   11
  1      0.894758E+06           0.709450E-05     
  2      0.134825E+06           0.535954E-04     
  3      0.308080E+05           0.289265E-03     
  4      0.875150E+04           0.116929E-02     
  5      0.286197E+04           0.445777E-02     
  6      0.103532E+04           0.135271E-01     
  7      0.404732E+03           0.425513E-01     
  8      0.168327E+03           0.100367E+00     
  9      0.736950E+02           0.255698E+00     
 10      0.337526E+02           0.341081E+00     
 11      0.161568E+02           0.500000E+00     
S   10
  1      0.308080E+05           0.143110E-05     
  2      0.875150E+04          -0.193884E-04     
  3      0.286197E+04           0.395604E-04     
  4      0.103532E+04          -0.365942E-03     
  5      0.404732E+03           0.294561E-03     
  6      0.168327E+03          -0.637993E-02     
  7      0.736950E+02          -0.678593E-02     
  8      0.337526E+02          -0.100717E+00     
  9      0.161568E+02          -0.208099E+00     
 10      0.796876E+01          -0.500000E+00     
S   1
  1      0.395209E+01           1.0000000        
S   1
  1      0.194542E+01           1.0000000        
S   1
  1      0.929289E+00           1.0000000        
S   1
  1      0.440853E+00           1.0000000        
S   1
  1      0.203400E+00           1.0000000        
S   1
  1      0.912259E-01           1.0000000        
P   3
  1      0.368047E+04           0.266782E-02     
  2      0.566226E+03           0.559258E-01     
  3      0.134104E+03           0.500000E+00     
P   1
  1      0.430132E+02           1.0000000        
P   1
  1      0.156118E+02           1.0000000        
P   1
  1      0.664271E+01           1.0000000        
P   1
  1      0.297484E+01           1.0000000        
P   1
  1      0.138849E+01           1.0000000        
P   1
  1      0.650119E+00           1.0000000        
P   1
  1      0.300281E+00           1.0000000        
P   1
  1      0.136198E+00           1.0000000        
P   1
  1      0.578450E-01           1.0000000        
D   1
  1      0.128000E+02           1.0000000        
D   1
  1      0.440000E+01           1.0000000        
D   1
  1      0.175000E+01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
D   1
  1      0.370000E+00           1.0000000        
D   1
  1      0.150000E+00           1.0000000        
F   1
  1      0.230000E+01           1.0000000        
F   1
  1      0.100000E+01           1.0000000        
F   1
  1      0.450000E+00           1.0000000        
G   1
  1      0.255000E+01           1.0000000        
G   1
  1      0.110000E+01           1.0000000        
H   1
  1      0.195000E+01           1.0000000


name: pcS-4
description: N/A
elt: O
data:
OXYGEN
S   11
  1      0.125972E+07           0.657930E-05     
  2      0.190112E+06           0.496032E-04     
  3      0.434490E+05           0.267987E-03     
  4      0.123423E+05           0.108233E-02     
  5      0.403498E+04           0.413537E-02     
  6      0.145968E+04           0.125297E-01     
  7      0.570656E+03           0.395726E-01     
  8      0.237504E+03           0.934206E-01     
  9      0.104112E+03           0.240709E+00     
 10      0.475812E+02           0.339152E+00     
 11      0.225461E+02           0.500000E+00     
S   10
  1      0.434490E+05           0.130480E-05     
  2      0.123423E+05          -0.175051E-04     
  3      0.403498E+04           0.361343E-04     
  4      0.145968E+04          -0.329021E-03     
  5      0.570656E+03           0.280282E-03     
  6      0.237504E+03          -0.566443E-02     
  7      0.104112E+03          -0.607690E-02     
  8      0.475812E+02          -0.899417E-01     
  9      0.225461E+02          -0.201724E+00     
 10      0.110926E+02          -0.500000E+00     
S   1
  1      0.554090E+01           1.0000000        
S   1
  1      0.277940E+01           1.0000000        
S   1
  1      0.128368E+01           1.0000000        
S   1
  1      0.596489E+00           1.0000000        
S   1
  1      0.270565E+00           1.0000000        
S   1
  1      0.120280E+00           1.0000000        
P   3
  1      0.460594E+04           0.266776E-02     
  2      0.708607E+03           0.566738E-01     
  3      0.167862E+03           0.500000E+00     
P   1
  1      0.539666E+02           1.0000000        
P   1
  1      0.198074E+02           1.0000000        
P   1
  1      0.838324E+01           1.0000000        
P   1
  1      0.374473E+01           1.0000000        
P   1
  1      0.173216E+01           1.0000000        
P   1
  1      0.799773E+00           1.0000000        
P   1
  1      0.363229E+00           1.0000000        
P   1
  1      0.159633E+00           1.0000000        
P   1
  1      0.656642E-01           1.0000000        
D   1
  1      0.182000E+02           1.0000000        
D   1
  1      0.600000E+01           1.0000000        
D   1
  1      0.240000E+01           1.0000000        
D   1
  1      0.110000E+01           1.0000000        
D   1
  1      0.500000E+00           1.0000000        
D   1
  1      0.200000E+00           1.0000000        
F   1
  1      0.260000E+01           1.0000000        
F   1
  1      0.115000E+01           1.0000000        
F   1
  1      0.500000E+00           1.0000000        
G   1
  1      0.305000E+01           1.0000000        
G   1
  1      0.130000E+01           1.0000000        
H   1
  1      0.205000E+01           1.0000000


name: pcS-4
description: N/A
elt: F
data:
FLUORINE
S   11
  1      0.185602E+07           0.619890E-05     
  2      0.280068E+06           0.467433E-04     
  3      0.640777E+05           0.251979E-03     
  4      0.182157E+05           0.101800E-02     
  5      0.595779E+04           0.388543E-02     
  6      0.215503E+04           0.118150E-01     
  7      0.841957E+03           0.373688E-01     
  8      0.349819E+03           0.896978E-01     
  9      0.152788E+03           0.233541E+00     
 10      0.693672E+02           0.356294E+00     
 11      0.325737E+02           0.500000E+00     
S   10
  1      0.640777E+05           0.102030E-05     
  2      0.182157E+05          -0.129008E-04     
  3      0.595779E+04           0.273241E-04     
  4      0.215503E+04          -0.244894E-03     
  5      0.841957E+03           0.187034E-03     
  6      0.349819E+03          -0.431369E-02     
  7      0.152788E+03          -0.605935E-02     
  8      0.693672E+02          -0.727119E-01     
  9      0.325737E+02          -0.198500E+00     
 10      0.158890E+02          -0.500000E+00     
S   1
  1      0.786514E+01           1.0000000        
S   1
  1      0.391988E+01           1.0000000        
S   1
  1      0.178612E+01           1.0000000        
S   1
  1      0.820653E+00           1.0000000        
S   1
  1      0.369371E+00           1.0000000        
S   1
  1      0.161976E+00           1.0000000        
P   3
  1      0.596629E+04           0.266674E-02     
  2      0.917891E+03           0.562885E-01     
  3      0.217410E+03           0.500000E+00     
P   1
  1      0.699386E+02           1.0000000        
P   1
  1      0.258308E+02           1.0000000        
P   1
  1      0.109692E+02           1.0000000        
P   1
  1      0.492146E+01           1.0000000        
P   1
  1      0.228390E+01           1.0000000        
P   1
  1      0.105789E+01           1.0000000        
P   1
  1      0.481348E+00           1.0000000        
P   1
  1      0.209021E+00           1.0000000        
P   1
  1      0.855558E-01           1.0000000        
D   1
  1      0.255000E+02           1.0000000        
D   1
  1      0.800000E+01           1.0000000        
D   1
  1      0.320000E+01           1.0000000        
D   1
  1      0.145000E+01           1.0000000        
D   1
  1      0.650000E+00           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.310000E+01           1.0000000        
F   1
  1      0.135000E+01           1.0000000        
F   1
  1      0.600000E+00           1.0000000        
G   1
  1      0.360000E+01           1.0000000        
G   1
  1      0.155000E+01           1.0000000        
H   1
  1      0.215000E+01           1.0000000


name: pcS-4
description: N/A
elt: Ne
data:
NEON
S   11
  1      0.252258E+07           0.538210E-05     
  2      0.377056E+06           0.411583E-04     
  3      0.857126E+05           0.222732E-03     
  4      0.242614E+05           0.907973E-03     
  5      0.791171E+04           0.345805E-02     
  6      0.285550E+04           0.106203E-01     
  7      0.111359E+04           0.334450E-01     
  8      0.461889E+03           0.816687E-01     
  9      0.201352E+03           0.212483E+00     
 10      0.911985E+02           0.339898E+00     
 11      0.426796E+02           0.500000E+00     
S   9
  1      0.242614E+05          -0.108674E-04     
  2      0.791171E+04           0.207769E-04     
  3      0.285550E+04          -0.206286E-03     
  4      0.111359E+04           0.127743E-03     
  5      0.461889E+03          -0.367767E-02     
  6      0.201352E+03          -0.564374E-02     
  7      0.911985E+02          -0.645030E-01     
  8      0.426796E+02          -0.178680E+00     
  9      0.207422E+02          -0.500000E+00     
S   1
  1      0.102487E+02           1.0000000        
S   1
  1      0.510128E+01           1.0000000        
S   1
  1      0.230307E+01           1.0000000        
S   1
  1      0.105306E+01           1.0000000        
S   1
  1      0.472224E+00           1.0000000        
S   1
  1      0.204663E+00           1.0000000        
P   3
  1      0.760436E+04           0.266073E-02     
  2      0.116990E+04           0.564776E-01     
  3      0.277106E+03           0.500000E+00     
P   1
  1      0.892636E+02           1.0000000        
P   1
  1      0.331003E+02           1.0000000        
P   1
  1      0.140312E+02           1.0000000        
P   1
  1      0.629854E+01           1.0000000        
P   1
  1      0.292341E+01           1.0000000        
P   1
  1      0.135367E+01           1.0000000        
P   1
  1      0.613615E+00           1.0000000        
P   1
  1      0.263617E+00           1.0000000        
P   1
  1      0.107546E+00           1.0000000        
D   1
  1      0.320000E+02           1.0000000        
D   1
  1      0.101000E+02           1.0000000        
D   1
  1      0.400000E+01           1.0000000        
D   1
  1      0.185000E+01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
D   1
  1      0.300000E+00           1.0000000        
F   1
  1      0.360000E+01           1.0000000        
F   1
  1      0.155000E+01           1.0000000        
F   1
  1      0.700000E+00           1.0000000        
G   1
  1      0.420000E+01           1.0000000        
G   1
  1      0.180000E+01           1.0000000        
H   1
  1      0.225000E+01           1.0000000


name: pcS-4
description: N/A
elt: Na
data:
SODIUM
S   12
  1      0.191871E+07           0.186930E-05     
  2      0.287270E+06           0.150657E-04     
  3      0.653823E+05           0.754183E-04     
  4      0.185232E+05           0.339949E-03     
  5      0.604538E+04           0.113989E-02     
  6      0.218424E+04           0.410188E-02     
  7      0.853112E+03           0.107456E-01     
  8      0.354686E+03           0.337222E-01     
  9      0.155332E+03           0.674193E-01     
 10      0.712335E+02           0.183664E+00     
 11      0.338349E+02           0.221584E+00     
 12      0.163486E+02           0.500000E+00     
S   11
  1      0.653823E+05           0.156700E-05     
  2      0.185232E+05          -0.267163E-04     
  3      0.604538E+04           0.525720E-04     
  4      0.218424E+04          -0.454209E-03     
  5      0.853112E+03           0.708313E-03     
  6      0.354686E+03          -0.608965E-02     
  7      0.155332E+03           0.329551E-02     
  8      0.712335E+02          -0.750026E-01     
  9      0.338349E+02          -0.151686E-01     
 10      0.163486E+02          -0.500000E+00     
 11      0.800817E+01           0.175853E+00     
S   10
  1      0.604538E+04           0.224520E-05     
  2      0.218424E+04           0.244497E-04     
  3      0.853112E+03           0.167836E-03     
  4      0.354686E+03           0.120081E-02     
  5      0.155332E+03           0.559960E-02     
  6      0.712335E+02           0.311447E-01     
  7      0.338349E+02           0.740389E-01     
  8      0.163486E+02           0.231230E+00     
  9      0.800817E+01           0.135101E+00     
 10      0.367131E+01          -0.500000E+00     
S   1
  1      0.171177E+01           1.0000000        
S   1
  1      0.791475E+00           1.0000000        
S   1
  1      0.354795E+00           1.0000000        
S   1
  1      0.906639E-01           1.0000000        
S   1
  1      0.443125E-01           1.0000000        
S   1
  1      0.219481E-01           1.0000000        
S   1
  1      0.108210E-01           1.0000000        
P   6
  1      0.197875E+05           0.300216E-04     
  2      0.304423E+04           0.517622E-03     
  3      0.720024E+03           0.551264E-02     
  4      0.234419E+03           0.274778E-01     
  5      0.896656E+02           0.133740E+00     
  6      0.366955E+02           0.500000E+00     
P   1
  1      0.162564E+02           1.0000000        
P   1
  1      0.765929E+01           1.0000000        
P   1
  1      0.371254E+01           1.0000000        
P   1
  1      0.179916E+01           1.0000000        
P   1
  1      0.862876E+00           1.0000000        
P   1
  1      0.401038E+00           1.0000000        
P   1
  1      0.177588E+00           1.0000000        
P   1
  1      0.807000E-01           1.0000000        
P   1
  1      0.367000E-01           1.0000000        
P   1
  1      0.167000E-01           1.0000000        
D   1
  1      0.235000E+01           1.0000000        
D   1
  1      0.560000E+00           1.0000000        
D   1
  1      0.140000E+00           1.0000000        
F   1
  1      0.108000E+01           1.0000000        
F   1
  1      0.240000E+00           1.0000000        
G   1
  1      0.300000E+00           1.0000000


name: pcS-4
description: N/A
elt: Mg
data:
MAGNESIUM
S   12
  1      0.319915E+07           0.391890E-05     
  2      0.478998E+06           0.298365E-04     
  3      0.109007E+06           0.161784E-03     
  4      0.308777E+05           0.656345E-03     
  5      0.100747E+05           0.251218E-02     
  6      0.363790E+04           0.766895E-02     
  7      0.141951E+04           0.243777E-01     
  8      0.589346E+03           0.592155E-01     
  9      0.257527E+03           0.157559E+00     
 10      0.117173E+03           0.256745E+00     
 11      0.547621E+02           0.500000E+00     
 12      0.262878E+02           0.475703E-01     
S   11
  1      0.109007E+06          -0.108620E-05     
  2      0.308777E+05           0.155121E-04     
  3      0.100747E+05          -0.327411E-04     
  4      0.363790E+04           0.275167E-03     
  5      0.141951E+04          -0.369415E-03     
  6      0.589346E+03           0.413412E-02     
  7      0.257527E+03           0.969441E-03     
  8      0.117173E+03           0.613808E-01     
  9      0.547621E+02           0.890197E-01     
 10      0.262878E+02           0.500000E+00     
 11      0.128602E+02           0.423132E+00     
S   10
  1      0.100747E+05          -0.240710E-05     
  2      0.363790E+04          -0.221989E-04     
  3      0.141951E+04          -0.160486E-03     
  4      0.589346E+03          -0.114886E-02     
  5      0.257527E+03          -0.565943E-02     
  6      0.117173E+03          -0.318708E-01     
  7      0.547621E+02          -0.107865E+00     
  8      0.262878E+02          -0.281598E+00     
  9      0.128602E+02          -0.500000E+00     
 10      0.626041E+01           0.415557E+00     
S   1
  1      0.285136E+01           1.0000000        
S   1
  1      0.130576E+01           1.0000000        
S   1
  1      0.583314E+00           1.0000000        
S   1
  1      0.168486E+00           1.0000000        
S   1
  1      0.856462E-01           1.0000000        
S   1
  1      0.450770E-01           1.0000000        
S   1
  1      0.219345E-01           1.0000000        
P   6
  1      0.270260E+05           0.277476E-04     
  2      0.415784E+04           0.508239E-03     
  3      0.984530E+03           0.514406E-02     
  4      0.320090E+03           0.272789E-01     
  5      0.121734E+03           0.129472E+00     
  6      0.498923E+02           0.500000E+00     
P   1
  1      0.225415E+02           1.0000000        
P   1
  1      0.107486E+02           1.0000000        
P   1
  1      0.528988E+01           1.0000000        
P   1
  1      0.259959E+01           1.0000000        
P   1
  1      0.125184E+01           1.0000000        
P   1
  1      0.592460E+00           1.0000000        
P   1
  1      0.269409E+00           1.0000000        
P   1
  1      0.122500E+00           1.0000000        
P   1
  1      0.557000E-01           1.0000000        
P   1
  1      0.253000E-01           1.0000000        
D   1
  1      0.336000E+01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
D   1
  1      0.200000E+00           1.0000000        
F   1
  1      0.135000E+01           1.0000000        
F   1
  1      0.300000E+00           1.0000000        
G   1
  1      0.350000E+00           1.0000000


name: pcS-4
description: N/A
elt: Al
data:
ALUMINUM
S   12
  1      0.384517E+07           0.387910E-05     
  2      0.575264E+06           0.298223E-04     
  3      0.130858E+06           0.159468E-03     
  4      0.370630E+05           0.659105E-03     
  5      0.120944E+05           0.246485E-02     
  6      0.436684E+04           0.775246E-02     
  7      0.170362E+04           0.238445E-01     
  8      0.707134E+03           0.607476E-01     
  9      0.308972E+03           0.154335E+00     
 10      0.140711E+03           0.278008E+00     
 11      0.659171E+02           0.500000E+00     
 12      0.317297E+02           0.196580E+00     
S   10
  1      0.370630E+05           0.104278E-04     
  2      0.120944E+05          -0.177934E-04     
  3      0.436684E+04           0.189502E-03     
  4      0.170362E+04          -0.148861E-03     
  5      0.707134E+03           0.313830E-02     
  6      0.308972E+03           0.311673E-02     
  7      0.140711E+03           0.525722E-01     
  8      0.659171E+02           0.102819E+00     
  9      0.317297E+02           0.462513E+00     
 10      0.155869E+02           0.500000E+00     
S   10
  1      0.120944E+05          -0.241550E-05     
  2      0.436684E+04           0.304539E-04     
  3      0.170362E+04           0.106970E-03     
  4      0.707134E+03           0.130485E-02     
  5      0.308972E+03           0.543739E-02     
  6      0.140711E+03           0.343075E-01     
  7      0.659171E+02           0.109702E+00     
  8      0.317297E+02           0.305996E+00     
  9      0.155869E+02           0.500000E+00     
 10      0.763820E+01          -0.381436E+00     
S   1
  1      0.354545E+01           1.0000000        
S   1
  1      0.166791E+01           1.0000000        
S   1
  1      0.769391E+00           1.0000000        
S   1
  1      0.279175E+00           1.0000000        
S   1
  1      0.140164E+00           1.0000000        
S   1
  1      0.703358E-01           1.0000000        
S   1
  1      0.336599E-01           1.0000000        
P   6
  1      0.369672E+05          -0.750940E-05     
  2      0.568726E+04          -0.655432E-03     
  3      0.134521E+04          -0.235257E-02     
  4      0.436378E+03          -0.330129E-01     
  5      0.165446E+03          -0.521523E-01     
  6      0.686188E+02          -0.500000E+00     
P   6
  1      0.568726E+04          -0.711854E-03     
  2      0.134521E+04          -0.130906E-02     
  3      0.436378E+03          -0.350292E-01     
  4      0.165446E+03          -0.214566E-01     
  5      0.686188E+02          -0.500000E+00     
  6      0.318753E+02           0.499231E+00     
P   1
  1      0.154322E+02           1.0000000        
P   1
  1      0.775703E+01           1.0000000        
P   1
  1      0.392565E+01           1.0000000        
P   1
  1      0.197644E+01           1.0000000        
P   1
  1      0.999178E+00           1.0000000        
P   1
  1      0.506297E+00           1.0000000        
P   1
  1      0.258474E+00           1.0000000        
P   1
  1      0.115664E+00           1.0000000        
P   1
  1      0.510481E-01           1.0000000        
P   1
  1      0.212002E-01           1.0000000        
D   1
  1      0.178100E+02           1.0000000        
D   1
  1      0.509000E+01           1.0000000        
D   1
  1      0.175000E+01           1.0000000        
D   1
  1      0.630000E+00           1.0000000        
D   1
  1      0.270000E+00           1.0000000        
D   1
  1      0.110000E+00           1.0000000        
F   1
  1      0.217000E+01           1.0000000        
F   1
  1      0.510000E+00           1.0000000        
F   1
  1      0.210000E+00           1.0000000        
G   1
  1      0.114000E+01           1.0000000        
G   1
  1      0.380000E+00           1.0000000        
H   1
  1      0.690000E+00           1.0000000


name: pcS-4
description: N/A
elt: Si
data:
SILICON
S   12
  1      0.461583E+07           0.410860E-05     
  2      0.719013E+06           0.298028E-04     
  3      0.169992E+06           0.151526E-03     
  4      0.493998E+05           0.614464E-03     
  5      0.163852E+05           0.224560E-02     
  6      0.598542E+04           0.705270E-02     
  7      0.235411E+04           0.213671E-01     
  8      0.981401E+03           0.556544E-01     
  9      0.428896E+03           0.141780E+00     
 10      0.194540E+03           0.278500E+00     
 11      0.907770E+02           0.500000E+00     
 12      0.437154E+02           0.386633E+00     
S   10
  1      0.493998E+05           0.374630E-05     
  2      0.163852E+05          -0.858510E-05     
  3      0.598542E+04           0.737057E-04     
  4      0.235411E+04          -0.316108E-04     
  5      0.981401E+03           0.144443E-02     
  6      0.428896E+03           0.289372E-02     
  7      0.194540E+03           0.285456E-01     
  8      0.907770E+02           0.831017E-01     
  9      0.437154E+02           0.276981E+00     
 10      0.214905E+02           0.500000E+00     
S   10
  1      0.163852E+05           0.461650E-05     
  2      0.598542E+04          -0.242306E-04     
  3      0.235411E+04          -0.388697E-04     
  4      0.981401E+03          -0.914019E-03     
  5      0.428896E+03          -0.361284E-02     
  6      0.194540E+03          -0.235984E-01     
  7      0.907770E+02          -0.868748E-01     
  8      0.437154E+02          -0.226360E+00     
  9      0.214905E+02          -0.500000E+00     
 10      0.106688E+02           0.260325E+00     
S   1
  1      0.488815E+01           1.0000000        
S   1
  1      0.233610E+01           1.0000000        
S   1
  1      0.109667E+01           1.0000000        
S   1
  1      0.423124E+00           1.0000000        
S   1
  1      0.242757E+00           1.0000000        
S   1
  1      0.117035E+00           1.0000000        
S   1
  1      0.528607E-01           1.0000000        
P   6
  1      0.419464E+05           0.148260E-05     
  2      0.645329E+04           0.610479E-03     
  3      0.153395E+04           0.135215E-02     
  4      0.498384E+03           0.303749E-01     
  5      0.188978E+03           0.342295E-01     
  6      0.778870E+02           0.500000E+00     
P   6
  1      0.645329E+04           0.616509E-03     
  2      0.153395E+04           0.114097E-02     
  3      0.498384E+03           0.305508E-01     
  4      0.188978E+03           0.286889E-01     
  5      0.778870E+02           0.500000E+00     
  6      0.355138E+02          -0.758991E-01     
P   1
  1      0.170159E+02           1.0000000        
P   1
  1      0.849770E+01           1.0000000        
P   1
  1      0.435444E+01           1.0000000        
P   1
  1      0.225750E+01           1.0000000        
P   1
  1      0.115967E+01           1.0000000        
P   1
  1      0.593432E+00           1.0000000        
P   1
  1      0.290119E+00           1.0000000        
P   1
  1      0.138249E+00           1.0000000        
P   1
  1      0.645939E-01           1.0000000        
P   1
  1      0.283545E-01           1.0000000        
D   1
  1      0.195200E+02           1.0000000        
D   1
  1      0.558000E+01           1.0000000        
D   1
  1      0.192000E+01           1.0000000        
D   1
  1      0.690000E+00           1.0000000        
D   1
  1      0.299000E+00           1.0000000        
D   1
  1      0.125000E+00           1.0000000        
F   1
  1      0.264000E+01           1.0000000        
F   1
  1      0.620000E+00           1.0000000        
F   1
  1      0.260000E+00           1.0000000        
G   1
  1      0.135000E+01           1.0000000        
G   1
  1      0.450000E+00           1.0000000        
H   1
  1      0.780000E+00           1.0000000


name: pcS-4
description: N/A
elt: P
data:
PHOSPHORUS
S   12
  1      0.526252E+07           0.430550E-05     
  2      0.822125E+06           0.312253E-04     
  3      0.194253E+06           0.158640E-03     
  4      0.564235E+05           0.645484E-03     
  5      0.187160E+05           0.234826E-02     
  6      0.683928E+04           0.740459E-02     
  7      0.269306E+04           0.222292E-01     
  8      0.112648E+04           0.578223E-01     
  9      0.495208E+03           0.144708E+00     
 10      0.226383E+03           0.283965E+00     
 11      0.106617E+03           0.500000E+00     
 12      0.519048E+02           0.402895E+00     
S   10
  1      0.564235E+05           0.341400E-05     
  2      0.187160E+05          -0.888580E-05     
  3      0.683928E+04           0.704574E-04     
  4      0.269306E+04          -0.274800E-04     
  5      0.112648E+04           0.145148E-02     
  6      0.495208E+03           0.303713E-02     
  7      0.226383E+03           0.286599E-01     
  8      0.106617E+03           0.832599E-01     
  9      0.519048E+02           0.270546E+00     
 10      0.258506E+02           0.500000E+00     
S   10
  1      0.187160E+05          -0.836920E-05     
  2      0.683928E+04           0.307092E-04     
  3      0.269306E+04           0.367610E-05     
  4      0.112648E+04           0.105394E-02     
  5      0.495208E+03           0.354449E-02     
  6      0.226383E+03           0.250889E-01     
  7      0.106617E+03           0.876943E-01     
  8      0.519048E+02           0.216854E+00     
  9      0.258506E+02           0.500000E+00     
 10      0.130219E+02          -0.442407E+00     
S   1
  1      0.605679E+01           1.0000000        
S   1
  1      0.295743E+01           1.0000000        
S   1
  1      0.140784E+01           1.0000000        
S   1
  1      0.571875E+00           1.0000000        
S   1
  1      0.310778E+00           1.0000000        
S   1
  1      0.149470E+00           1.0000000        
S   1
  1      0.683135E-01           1.0000000        
P   6
  1      0.503661E+05           0.613000E-06     
  2      0.774862E+04           0.608978E-03     
  3      0.183359E+04           0.125256E-02     
  4      0.595546E+03           0.305604E-01     
  5      0.226610E+03           0.310388E-01     
  6      0.941913E+02           0.500000E+00     
P   6
  1      0.774862E+04          -0.611098E-03     
  2      0.183359E+04          -0.116387E-02     
  3      0.595546E+03          -0.306189E-01     
  4      0.226610E+03          -0.287164E-01     
  5      0.941913E+02          -0.500000E+00     
  6      0.433319E+02           0.306459E-01     
P   1
  1      0.209074E+02           1.0000000        
P   1
  1      0.105015E+02           1.0000000        
P   1
  1      0.542547E+01           1.0000000        
P   1
  1      0.288179E+01           1.0000000        
P   1
  1      0.152843E+01           1.0000000        
P   1
  1      0.810815E+00           1.0000000        
P   1
  1      0.390282E+00           1.0000000        
P   1
  1      0.186453E+00           1.0000000        
P   1
  1      0.875669E-01           1.0000000        
P   1
  1      0.386731E-01           1.0000000        
D   1
  1      0.212300E+02           1.0000000        
D   1
  1      0.607000E+01           1.0000000        
D   1
  1      0.209000E+01           1.0000000        
D   1
  1      0.750000E+00           1.0000000        
D   1
  1      0.325000E+00           1.0000000        
D   1
  1      0.135000E+00           1.0000000        
F   1
  1      0.312000E+01           1.0000000        
F   1
  1      0.730000E+00           1.0000000        
F   1
  1      0.300000E+00           1.0000000        
G   1
  1      0.155000E+01           1.0000000        
G   1
  1      0.520000E+00           1.0000000        
H   1
  1      0.870000E+00           1.0000000


name: pcS-4
description: N/A
elt: S
data:
SULFUR
S   12
  1      0.635920E+07           0.403580E-05     
  2      0.983887E+06           0.298221E-04     
  3      0.229773E+06           0.153274E-03     
  4      0.662758E+05           0.629541E-03     
  5      0.218839E+05           0.229278E-02     
  6      0.796959E+04           0.729061E-02     
  7      0.312992E+04           0.218407E-01     
  8      0.130517E+04           0.575561E-01     
  9      0.571698E+03           0.143634E+00     
 10      0.260581E+03           0.286807E+00     
 11      0.122481E+03           0.500000E+00     
 12      0.595182E+02           0.415460E+00     
S   10
  1      0.662758E+05           0.649740E-05     
  2      0.218839E+05          -0.171515E-04     
  3      0.796959E+04           0.122018E-03     
  4      0.312992E+04          -0.140711E-03     
  5      0.130517E+04           0.209419E-02     
  6      0.571698E+03           0.230112E-02     
  7      0.260581E+03           0.361734E-01     
  8      0.122481E+03           0.848892E-01     
  9      0.595182E+02           0.329232E+00     
 10      0.296267E+02           0.500000E+00     
S   10
  1      0.218839E+05          -0.463260E-05     
  2      0.796959E+04          -0.116763E-04     
  3      0.312992E+04          -0.134709E-03     
  4      0.130517E+04          -0.647916E-03     
  5      0.571698E+03          -0.391924E-02     
  6      0.260581E+03          -0.195295E-01     
  7      0.122481E+03          -0.789418E-01     
  8      0.595182E+02          -0.241372E+00     
  9      0.296267E+02          -0.500000E+00     
 10      0.149432E+02          -0.380336E+00     
S   1
  1      0.704789E+01           1.0000000        
S   1
  1      0.350404E+01           1.0000000        
S   1
  1      0.169969E+01           1.0000000        
S   1
  1      0.731007E+00           1.0000000        
S   1
  1      0.379476E+00           1.0000000        
S   1
  1      0.181852E+00           1.0000000        
S   1
  1      0.839606E-01           1.0000000        
P   6
  1      0.607190E+05           0.558200E-06     
  2      0.934139E+04           0.612423E-03     
  3      0.220865E+04           0.126287E-02     
  4      0.716270E+03           0.308682E-01     
  5      0.272505E+03           0.314253E-01     
  6      0.113768E+03           0.500000E+00     
P   6
  1      0.934139E+04           0.614415E-03     
  2      0.220865E+04           0.118213E-02     
  3      0.716270E+03           0.309229E-01     
  4      0.272505E+03           0.292906E-01     
  5      0.113768E+03           0.500000E+00     
  6      0.525714E+02          -0.287293E-01     
P   1
  1      0.253973E+02           1.0000000        
P   1
  1      0.127703E+02           1.0000000        
P   1
  1      0.662243E+01           1.0000000        
P   1
  1      0.353882E+01           1.0000000        
P   1
  1      0.187562E+01           1.0000000        
P   1
  1      0.990177E+00           1.0000000        
P   1
  1      0.477231E+00           1.0000000        
P   1
  1      0.226924E+00           1.0000000        
P   1
  1      0.104733E+00           1.0000000        
P   1
  1      0.453027E-01           1.0000000        
D   1
  1      0.229300E+02           1.0000000        
D   1
  1      0.655000E+01           1.0000000        
D   1
  1      0.226000E+01           1.0000000        
D   1
  1      0.810000E+00           1.0000000        
D   1
  1      0.351000E+00           1.0000000        
D   1
  1      0.146000E+00           1.0000000        
F   1
  1      0.359000E+01           1.0000000        
F   1
  1      0.840000E+00           1.0000000        
F   1
  1      0.350000E+00           1.0000000        
G   1
  1      0.176000E+01           1.0000000        
G   1
  1      0.590000E+00           1.0000000        
H   1
  1      0.950000E+00           1.0000000


name: pcS-4
description: N/A
elt: Cl
data:
CHLORINE
S   12
  1      0.742123E+07           0.390420E-05     
  2      0.114107E+07           0.292496E-04     
  3      0.264425E+06           0.151157E-03     
  4      0.757909E+05           0.629216E-03     
  5      0.249248E+05           0.228123E-02     
  6      0.905259E+04           0.734903E-02     
  7      0.354813E+04           0.217978E-01     
  8      0.147798E+04           0.583527E-01     
  9      0.647354E+03           0.143149E+00     
 10      0.295333E+03           0.293501E+00     
 11      0.138978E+03           0.500000E+00     
 12      0.675489E+02           0.453946E+00     
S   11
  1      0.264425E+06          -0.204120E-05     
  2      0.757909E+05           0.204112E-04     
  3      0.249248E+05          -0.545523E-04     
  4      0.905259E+04           0.353532E-03     
  5      0.354813E+04          -0.674199E-03     
  6      0.147798E+04           0.487103E-02     
  7      0.647354E+03          -0.218791E-02     
  8      0.295333E+03           0.638801E-01     
  9      0.138978E+03           0.655606E-01     
 10      0.675489E+02           0.500000E+00     
 11      0.336610E+02           0.338781E+00     
S   10
  1      0.249248E+05           0.160700E-05     
  2      0.905259E+04           0.161256E-04     
  3      0.354813E+04           0.105180E-03     
  4      0.147798E+04           0.750357E-03     
  5      0.647354E+03           0.389227E-02     
  6      0.295333E+03           0.211529E-01     
  7      0.138978E+03           0.817072E-01     
  8      0.675489E+02           0.243652E+00     
  9      0.336610E+02           0.500000E+00     
 10      0.170273E+02           0.191620E+00     
S   1
  1      0.815043E+01           1.0000000        
S   1
  1      0.413190E+01           1.0000000        
S   1
  1      0.204567E+01           1.0000000        
S   1
  1      0.940294E+00           1.0000000        
S   1
  1      0.469013E+00           1.0000000        
S   1
  1      0.222191E+00           1.0000000        
S   1
  1      0.102198E+00           1.0000000        
P   6
  1      0.717298E+05           0.441300E-06     
  2      0.110354E+05           0.619939E-03     
  3      0.261153E+04           0.125210E-02     
  4      0.848019E+03           0.311433E-01     
  5      0.323004E+03           0.311576E-01     
  6      0.135328E+03           0.500000E+00     
P   6
  1      0.110354E+05           0.621542E-03     
  2      0.261153E+04           0.118838E-02     
  3      0.848019E+03           0.311878E-01     
  4      0.323004E+03           0.294697E-01     
  5      0.135328E+03           0.500000E+00     
  6      0.626841E+02          -0.230354E-01     
P   1
  1      0.302982E+02           1.0000000        
P   1
  1      0.152400E+02           1.0000000        
P   1
  1      0.792595E+01           1.0000000        
P   1
  1      0.428531E+01           1.0000000        
P   1
  1      0.230431E+01           1.0000000        
P   1
  1      0.123574E+01           1.0000000        
P   1
  1      0.600210E+00           1.0000000        
P   1
  1      0.287394E+00           1.0000000        
P   1
  1      0.131853E+00           1.0000000        
P   1
  1      0.569701E-01           1.0000000        
D   1
  1      0.246300E+02           1.0000000        
D   1
  1      0.704000E+01           1.0000000        
D   1
  1      0.243000E+01           1.0000000        
D   1
  1      0.870000E+00           1.0000000        
D   1
  1      0.377000E+00           1.0000000        
D   1
  1      0.157000E+00           1.0000000        
F   1
  1      0.406000E+01           1.0000000        
F   1
  1      0.950000E+00           1.0000000        
F   1
  1      0.390000E+00           1.0000000        
G   1
  1      0.197000E+01           1.0000000        
G   1
  1      0.660000E+00           1.0000000        
H   1
  1      0.104000E+01           1.0000000


name: pcS-4
description: N/A
elt: Ar
data:
ARGON
S   12
  1      0.944513E+07           0.168500E-05     
  2      0.141413E+07           0.135914E-04     
  3      0.321813E+06           0.677900E-04     
  4      0.911579E+05           0.307161E-03     
  5      0.297428E+05           0.102495E-02     
  6      0.107395E+05           0.372254E-02     
  7      0.418999E+04           0.974399E-02     
  8      0.173892E+04           0.311353E-01     
  9      0.759285E+03           0.646897E-01     
 10      0.345503E+03           0.180201E+00     
 11      0.162357E+03           0.249256E+00     
 12      0.788881E+02           0.500000E+00     
S   12
  1      0.141413E+07           0.100410E-05     
  2      0.321813E+06          -0.234400E-05     
  3      0.911579E+05           0.327478E-04     
  4      0.297428E+05          -0.740118E-04     
  5      0.107395E+05           0.547237E-03     
  6      0.418999E+04          -0.106610E-02     
  7      0.173892E+04           0.676288E-02     
  8      0.759285E+03          -0.770872E-02     
  9      0.345503E+03           0.734738E-01     
 10      0.162357E+03           0.453491E-03     
 11      0.788881E+02           0.500000E+00     
 12      0.393209E+02          -0.855413E-01     
S   10
  1      0.297428E+05           0.144140E-05     
  2      0.107395E+05           0.129960E-04     
  3      0.418999E+04           0.977974E-04     
  4      0.173892E+04           0.674870E-03     
  5      0.759285E+03           0.367738E-02     
  6      0.345503E+03           0.196743E-01     
  7      0.162357E+03           0.786186E-01     
  8      0.788881E+02           0.234523E+00     
  9      0.393209E+02           0.500000E+00     
 10      0.199184E+02           0.222100E+00     
S   1
  1      0.957641E+01           1.0000000        
S   1
  1      0.491611E+01           1.0000000        
S   1
  1      0.246476E+01           1.0000000        
S   1
  1      0.118304E+01           1.0000000        
S   1
  1      0.575208E+00           1.0000000        
S   1
  1      0.270406E+00           1.0000000        
S   1
  1      0.123116E+00           1.0000000        
P   6
  1      0.845397E+05           0.316100E-06     
  2      0.130061E+05           0.625071E-03     
  3      0.307813E+04           0.124407E-02     
  4      0.999564E+03           0.314161E-01     
  5      0.380974E+03           0.307952E-01     
  6      0.160276E+03           0.500000E+00     
P   6
  1      0.130061E+05           0.626225E-03     
  2      0.307813E+04           0.119842E-02     
  3      0.999564E+03           0.314481E-01     
  4      0.380974E+03           0.295795E-01     
  5      0.160276E+03           0.500000E+00     
  6      0.744941E+02          -0.167246E-01     
P   1
  1      0.360649E+02           1.0000000        
P   1
  1      0.181644E+02           1.0000000        
P   1
  1      0.946650E+01           1.0000000        
P   1
  1      0.516300E+01           1.0000000        
P   1
  1      0.280849E+01           1.0000000        
P   1
  1      0.152347E+01           1.0000000        
P   1
  1      0.743785E+00           1.0000000        
P   1
  1      0.356799E+00           1.0000000        
P   1
  1      0.162215E+00           1.0000000        
P   1
  1      0.699561E-01           1.0000000        
D   1
  1      0.263300E+02           1.0000000        
D   1
  1      0.753000E+01           1.0000000        
D   1
  1      0.260000E+01           1.0000000        
D   1
  1      0.930000E+00           1.0000000        
D   1
  1      0.410000E+00           1.0000000        
D   1
  1      0.170000E+00           1.0000000        
F   1
  1      0.453000E+01           1.0000000        
F   1
  1      0.106000E+01           1.0000000        
F   1
  1      0.440000E+00           1.0000000        
G   1
  1      0.218000E+01           1.0000000        
G   1
  1      0.730000E+00           1.0000000        
H   1
  1      0.112000E+01           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: H
data:
HYDROGEN
S   2
  1      0.434473E+01           0.934643E-01     
  2      0.660487E+00           0.500000E+00     
S   1
  1      0.136687E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: He
data:
HELIUM
S   2
  1      0.132101E+02           0.102774E+00     
  2      0.194346E+01           0.500000E+00     
S   1
  1      0.354437E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Li
data:
LITHIUM
S   4
  1      0.105434E+03           0.229812E-01     
  2      0.159407E+02           0.154727E+00     
  3      0.349862E+01           0.500000E+00     
  4      0.865380E+00           0.611796E+00     
S   1
  1      0.860000E-01           1.0000000        
S   1
  1      0.396337E-01           1.0000000        
P   2
  1      0.348419E+00           0.211103E+00     
  2      0.624984E-01           0.500000E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Be
data:
BERYLLIUM
S   4
  1      0.196127E+03           0.219404E-01     
  2      0.296333E+02           0.149674E+00     
  3      0.655331E+01           0.500000E+00     
  4      0.166799E+01           0.616299E+00     
S   1
  1      0.156252E+00           1.0000000        
S   1
  1      0.560242E-01           1.0000000        
P   2
  1      0.577631E+00           0.214621E+00     
  2      0.102459E+00           0.500000E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: B
data:
BORON
S   4
  1      0.319234E+03           0.212657E-01     
  2      0.482124E+02           0.146455E+00     
  3      0.107215E+02           0.500000E+00     
  4      0.278043E+01           0.624221E+00     
S   1
  1      0.282375E+00           1.0000000        
S   1
  1      0.950029E-01           1.0000000        
P   2
  1      0.282800E+01           0.116029E+00     
  2      0.550779E+00           0.500000E+00     
P   1
  1      0.122020E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: C
data:
CARBON
S   4
  1      0.471525E+03           0.208506E-01     
  2      0.711900E+02           0.144462E+00     
  3      0.158860E+02           0.500000E+00     
  4      0.416469E+01           0.628138E+00     
S   1
  1      0.442581E+00           1.0000000        
S   1
  1      0.142836E+00           1.0000000        
P   2
  1      0.441211E+01           0.121453E+00     
  2      0.879860E+00           0.500000E+00     
P   1
  1      0.192992E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: N
data:
NITROGEN
S   4
  1      0.653283E+03           0.205664E-01     
  2      0.986100E+02           0.143088E+00     
  3      0.220574E+02           0.500000E+00     
  4      0.582324E+01           0.630731E+00     
S   1
  1      0.637084E+00           1.0000000        
S   1
  1      0.199637E+00           1.0000000        
P   2
  1      0.632227E+01           0.125145E+00     
  2      0.128076E+01           0.500000E+00     
P   1
  1      0.278950E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: O
data:
OXYGEN
S   4
  1      0.864900E+03           0.203617E-01     
  2      0.130531E+03           0.142109E+00     
  3      0.292551E+02           0.500000E+00     
  4      0.776965E+01           0.633334E+00     
S   1
  1      0.869788E+00           1.0000000        
S   1
  1      0.269783E+00           1.0000000        
P   2
  1      0.830553E+01           0.131199E+00     
  2      0.169516E+01           0.500000E+00     
P   1
  1      0.357951E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: F
data:
FLUORINE
S   4
  1      0.110604E+04           0.202032E-01     
  2      0.166903E+03           0.141343E+00     
  3      0.374603E+02           0.500000E+00     
  4      0.998992E+01           0.635147E+00     
S   1
  1      0.113792E+01           1.0000000        
S   1
  1      0.349083E+00           1.0000000        
P   2
  1      0.107104E+02           0.134427E+00     
  2      0.219852E+01           0.500000E+00     
P   1
  1      0.457687E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ne
data:
NEON
S   4
  1      0.137668E+04           0.200783E-01     
  2      0.207721E+03           0.140736E+00     
  3      0.466729E+02           0.500000E+00     
  4      0.124845E+02           0.636457E+00     
S   1
  1      0.144043E+01           1.0000000        
S   1
  1      0.436813E+00           1.0000000        
P   2
  1      0.134777E+02           0.136398E+00     
  2      0.278027E+01           0.500000E+00     
P   1
  1      0.574798E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Na
data:
SODIUM
S   5
  1      0.409440E+04           0.595638E-02     
  2      0.616161E+03           0.444531E-01     
  3      0.139968E+03           0.197678E+00     
  4      0.389011E+02           0.500000E+00     
  5      0.120097E+02           0.436664E+00     
S   2
  1      0.172063E+01           0.500000E+00     
  2      0.546182E+00           0.340641E+00     
S   1
  1      0.618218E-01           1.0000000        
S   1
  1      0.264778E-01           1.0000000        
P   4
  1      0.379392E+02           0.527666E-01     
  2      0.845240E+01           0.277265E+00     
  3      0.233229E+01           0.587698E+00     
  4      0.610084E+00           0.500000E+00     
P   1
  1      0.950000E-01           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Mg
data:
MAGNESIUM
S   5
  1      0.493788E+04           0.588250E-02     
  2      0.743048E+03           0.439409E-01     
  3      0.168817E+03           0.196125E+00     
  4      0.469828E+02           0.500000E+00     
  5      0.145627E+02           0.442642E+00     
S   2
  1      0.210737E+01           0.500000E+00     
  2      0.709072E+00           0.322304E+00     
S   1
  1      0.101738E+00           1.0000000        
S   1
  1      0.377840E-01           1.0000000        
P   4
  1      0.496039E+02           0.497541E-01     
  2      0.111546E+02           0.269127E+00     
  3      0.313780E+01           0.594773E+00     
  4      0.862606E+00           0.500000E+00     
P   1
  1      0.160000E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Al
data:
ALUMINUM
S   5
  1      0.587437E+04           0.581317E-02     
  2      0.883912E+03           0.434598E-01     
  3      0.200849E+03           0.194637E+00     
  4      0.559707E+02           0.500000E+00     
  5      0.174077E+02           0.449417E+00     
S   2
  1      0.253372E+01           0.500000E+00     
  2      0.886703E+00           0.297736E+00     
S   1
  1      0.161366E+00           1.0000000        
S   1
  1      0.600294E-01           1.0000000        
P   4
  1      0.792503E+02           0.287146E-01     
  2      0.182089E+02           0.169809E+00     
  3      0.536338E+01           0.446794E+00     
  4      0.163164E+01           0.500000E+00     
P   1
  1      0.401500E+00           1.0000000        
P   1
  1      0.887626E-01           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Si
data:
SILICON
S   5
  1      0.689054E+04           0.575535E-02     
  2      0.103676E+04           0.430578E-01     
  3      0.235605E+03           0.193401E+00     
  4      0.657222E+02           0.500000E+00     
  5      0.205033E+02           0.454881E+00     
S   2
  1      0.299923E+01           0.500000E+00     
  2      0.107285E+01           0.274557E+00     
S   1
  1      0.226898E+00           1.0000000        
S   1
  1      0.835968E-01           1.0000000        
P   4
  1      0.951996E+02           0.286510E-01     
  2      0.219339E+02           0.171450E+00     
  3      0.649656E+01           0.455919E+00     
  4      0.200737E+01           0.500000E+00     
P   1
  1      0.480900E+00           1.0000000        
P   1
  1      0.120188E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: P
data:
PHOSPHORUS
S   5
  1      0.798859E+04           0.570561E-02     
  2      0.120192E+04           0.427117E-01     
  3      0.273160E+03           0.192333E+00     
  4      0.762651E+02           0.500000E+00     
  5      0.238568E+02           0.459671E+00     
S   2
  1      0.350612E+01           0.500000E+00     
  2      0.126862E+01           0.253998E+00     
S   1
  1      0.300248E+00           1.0000000        
S   1
  1      0.109046E+00           1.0000000        
P   4
  1      0.113070E+03           0.284202E-01     
  2      0.261164E+02           0.172025E+00     
  3      0.777596E+01           0.462740E+00     
  4      0.243758E+01           0.500000E+00     
P   1
  1      0.576173E+00           1.0000000        
P   1
  1      0.152687E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: S
data:
SULFUR
S   5
  1      0.917084E+04           0.566136E-02     
  2      0.137976E+04           0.424018E-01     
  3      0.313602E+03           0.191373E+00     
  4      0.876230E+02           0.500000E+00     
  5      0.274763E+02           0.464086E+00     
S   2
  1      0.405603E+01           0.500000E+00     
  2      0.147487E+01           0.236684E+00     
S   1
  1      0.383987E+00           1.0000000        
S   1
  1      0.138617E+00           1.0000000        
P   4
  1      0.132830E+03           0.280980E-01     
  2      0.307488E+02           0.171907E+00     
  3      0.919935E+01           0.467809E+00     
  4      0.292127E+01           0.500000E+00     
P   1
  1      0.690066E+00           1.0000000        
P   1
  1      0.180663E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Cl
data:
CHLORINE
S   5
  1      0.104362E+05           0.562206E-02     
  2      0.157006E+04           0.421295E-01     
  3      0.356871E+03           0.190526E+00     
  4      0.997801E+02           0.500000E+00     
  5      0.313560E+02           0.468042E+00     
S   2
  1      0.464874E+01           0.500000E+00     
  2      0.169060E+01           0.222191E+00     
S   1
  1      0.476587E+00           1.0000000        
S   1
  1      0.170975E+00           1.0000000        
P   4
  1      0.155255E+03           0.274215E-01     
  2      0.360178E+02           0.169676E+00     
  3      0.108277E+02           0.468349E+00     
  4      0.348174E+01           0.500000E+00     
P   1
  1      0.839562E+00           1.0000000        
P   1
  1      0.218892E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ar
data:
ARGON
S   5
  1      0.117833E+05           0.558774E-02     
  2      0.177267E+04           0.418900E-01     
  3      0.402946E+03           0.189779E+00     
  4      0.112730E+03           0.500000E+00     
  5      0.354943E+02           0.471569E+00     
S   2
  1      0.528426E+01           0.500000E+00     
  2      0.191521E+01           0.210055E+00     
S   1
  1      0.577940E+00           1.0000000        
S   1
  1      0.205615E+00           1.0000000        
P   4
  1      0.179557E+03           0.267987E-01     
  2      0.417322E+02           0.167528E+00     
  3      0.125983E+02           0.468493E+00     
  4      0.409545E+01           0.500000E+00     
P   1
  1      0.100960E+01           1.0000000        
P   1
  1      0.263557E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: K
data:
POTASSIUM
S   5
  1      0.130794E+05           0.559126E-02     
  2      0.196765E+04           0.419172E-01     
  3      0.447275E+03           0.189941E+00     
  4      0.125182E+03           0.500000E+00     
  5      0.394983E+02           0.467618E+00     
S   2
  1      0.597721E+01           0.500000E+00     
  2      0.218090E+01           0.197943E+00     
S   2
  1      0.668445E+00           0.500000E+00     
  2      0.240628E+00           0.248837E+00     
S   1
  1      0.348075E-01           1.0000000        
S   1
  1      0.188000E-01           1.0000000        
P   4
  1      0.184114E+03           0.309362E-01     
  2      0.426813E+02           0.189365E+00     
  3      0.128189E+02           0.500000E+00     
  4      0.415826E+01           0.448607E+00     
P   1
  1      0.643709E+00           1.0000000        
P   1
  1      0.667000E-01           1.0000000        
D   2
  1      0.721100E+00           0.199630E+00     
  2      0.930355E-01           0.500000E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ca
data:
CALCIUM
S   5
  1      0.145885E+05           0.555806E-02     
  2      0.219462E+04           0.416851E-01     
  3      0.498889E+03           0.189206E+00     
  4      0.139700E+03           0.500000E+00     
  5      0.441637E+02           0.471177E+00     
S   2
  1      0.670205E+01           0.500000E+00     
  2      0.244880E+01           0.189212E+00     
S   2
  1      0.790305E+00           0.500000E+00     
  2      0.304833E+00           0.233068E+00     
S   1
  1      0.548866E-01           1.0000000        
S   1
  1      0.225113E-01           1.0000000        
P   4
  1      0.209884E+03           0.302638E-01     
  2      0.487414E+02           0.186986E+00     
  3      0.146989E+02           0.500000E+00     
  4      0.481560E+01           0.449733E+00     
P   1
  1      0.806767E+00           1.0000000        
P   1
  1      0.871000E-01           1.0000000        
D   2
  1      0.109380E+01           0.214014E+00     
  2      0.157593E+00           0.500000E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Sc
data:
SCANDIUM
S   5
  1      0.161712E+05           0.553131E-02     
  2      0.243264E+04           0.414982E-01     
  3      0.553017E+03           0.188618E+00     
  4      0.154926E+03           0.500000E+00     
  5      0.490575E+02           0.473857E+00     
S   2
  1      0.747894E+01           0.500000E+00     
  2      0.272350E+01           0.181762E+00     
S   2
  1      0.921573E+00           0.500000E+00     
  2      0.358536E+00           0.232311E+00     
S   1
  1      0.667442E-01           1.0000000        
S   1
  1      0.270223E-01           1.0000000        
P   4
  1      0.236705E+03           0.297699E-01     
  2      0.550506E+02           0.185328E+00     
  3      0.166597E+02           0.500000E+00     
  4      0.550046E+01           0.448898E+00     
P   1
  1      0.956833E+00           1.0000000        
P   1
  1      0.103000E+00           1.0000000        
D   3
  1      0.969590E+01           0.775670E-01     
  2      0.242441E+01           0.302166E+00     
  3      0.668779E+00           0.500000E+00     
D   1
  1      0.157119E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ti
data:
TITANIUM
S   5
  1      0.178310E+05           0.550824E-02     
  2      0.268228E+04           0.413370E-01     
  3      0.609786E+03           0.188112E+00     
  4      0.170897E+03           0.500000E+00     
  5      0.541956E+02           0.476068E+00     
S   2
  1      0.830406E+01           0.500000E+00     
  2      0.301148E+01           0.175686E+00     
S   2
  1      0.106069E+01           0.500000E+00     
  2      0.413874E+00           0.239022E+00     
S   1
  1      0.767442E-01           1.0000000        
S   1
  1      0.309583E-01           1.0000000        
P   4
  1      0.264789E+03           0.293753E-01     
  2      0.616590E+02           0.184049E+00     
  3      0.187163E+02           0.500000E+00     
  4      0.621862E+01           0.447381E+00     
P   1
  1      0.110720E+01           1.0000000        
P   1
  1      0.118900E+00           1.0000000        
D   3
  1      0.122409E+02           0.743052E-01     
  2      0.312757E+01           0.298000E+00     
  3      0.892862E+00           0.500000E+00     
D   1
  1      0.218065E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: V
data:
VANADIUM
S   5
  1      0.195738E+05           0.548666E-02     
  2      0.294433E+04           0.411874E-01     
  3      0.669361E+03           0.187645E+00     
  4      0.187654E+03           0.500000E+00     
  5      0.595895E+02           0.478054E+00     
S   2
  1      0.917681E+01           0.500000E+00     
  2      0.331589E+01           0.170838E+00     
S   2
  1      0.121000E+01           0.500000E+00     
  2      0.473846E+00           0.249551E+00     
S   1
  1      0.870151E-01           1.0000000        
S   1
  1      0.349811E-01           1.0000000        
P   4
  1      0.294271E+03           0.290403E-01     
  2      0.685977E+02           0.182990E+00     
  3      0.208780E+02           0.500000E+00     
  4      0.697393E+01           0.445678E+00     
P   1
  1      0.126354E+01           1.0000000        
P   1
  1      0.135000E+00           1.0000000        
D   3
  1      0.145468E+02           0.734038E-01     
  2      0.376431E+01           0.298067E+00     
  3      0.109010E+01           0.500000E+00     
D   1
  1      0.270364E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Cr
data:
CHROMIUM
S   5
  1      0.213896E+05           0.546921E-02     
  2      0.321745E+04           0.410647E-01     
  3      0.731488E+03           0.187257E+00     
  4      0.205146E+03           0.500000E+00     
  5      0.652297E+02           0.479711E+00     
S   2
  1      0.100947E+02           0.500000E+00     
  2      0.363251E+01           0.166628E+00     
S   2
  1      0.136374E+01           0.500000E+00     
  2      0.532846E+00           0.255870E+00     
S   1
  1      0.977497E-01           1.0000000        
S   1
  1      0.389661E-01           1.0000000        
P   4
  1      0.325168E+03           0.287548E-01     
  2      0.758770E+02           0.182091E+00     
  3      0.231503E+02           0.500000E+00     
  4      0.776841E+01           0.444069E+00     
P   1
  1      0.142693E+01           1.0000000        
P   1
  1      0.151700E+00           1.0000000        
D   3
  1      0.168260E+02           0.732860E-01     
  2      0.439418E+01           0.299560E+00     
  3      0.128260E+01           0.500000E+00     
D   1
  1      0.320197E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Mn
data:
MANGANESE
S   5
  1      0.232900E+05           0.545211E-02     
  2      0.350329E+04           0.409445E-01     
  3      0.796489E+03           0.186879E+00     
  4      0.223439E+03           0.500000E+00     
  5      0.711274E+02           0.481251E+00     
S   2
  1      0.110596E+02           0.500000E+00     
  2      0.396643E+01           0.163200E+00     
S   2
  1      0.152692E+01           0.500000E+00     
  2      0.595770E+00           0.264439E+00     
S   1
  1      0.108096E+00           1.0000000        
S   1
  1      0.426473E-01           1.0000000        
P   4
  1      0.357499E+03           0.285052E-01     
  2      0.834920E+02           0.181329E+00     
  3      0.255293E+02           0.500000E+00     
  4      0.860073E+01           0.442415E+00     
P   1
  1      0.159655E+01           1.0000000        
P   1
  1      0.168900E+00           1.0000000        
D   3
  1      0.192813E+02           0.728888E-01     
  2      0.507441E+01           0.300401E+00     
  3      0.149214E+01           0.500000E+00     
D   1
  1      0.375490E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Fe
data:
IRON
S   5
  1      0.252667E+05           0.543705E-02     
  2      0.380058E+04           0.408391E-01     
  3      0.864093E+03           0.186550E+00     
  4      0.242468E+03           0.500000E+00     
  5      0.772698E+02           0.482546E+00     
S   2
  1      0.120698E+02           0.500000E+00     
  2      0.431611E+01           0.159875E+00     
S   2
  1      0.169739E+01           0.500000E+00     
  2      0.662665E+00           0.268734E+00     
S   1
  1      0.114235E+00           1.0000000        
S   1
  1      0.435678E-01           1.0000000        
P   4
  1      0.391291E+03           0.282821E-01     
  2      0.914546E+02           0.180652E+00     
  3      0.280195E+02           0.500000E+00     
  4      0.947390E+01           0.440802E+00     
P   1
  1      0.177911E+01           1.0000000        
P   1
  1      0.187700E+00           1.0000000        
D   3
  1      0.214241E+02           0.745419E-01     
  2      0.566812E+01           0.305269E+00     
  3      0.166763E+01           0.500000E+00     
D   1
  1      0.415057E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Co
data:
COBALT
S   5
  1      0.273235E+05           0.542330E-02     
  2      0.410991E+04           0.407428E-01     
  3      0.934441E+03           0.186248E+00     
  4      0.262275E+03           0.500000E+00     
  5      0.836663E+02           0.483728E+00     
S   2
  1      0.131262E+02           0.500000E+00     
  2      0.468214E+01           0.157691E+00     
S   2
  1      0.187602E+01           0.500000E+00     
  2      0.731522E+00           0.275168E+00     
S   1
  1      0.120690E+00           1.0000000        
S   1
  1      0.447298E-01           1.0000000        
P   4
  1      0.426477E+03           0.280882E-01     
  2      0.997490E+02           0.180078E+00     
  3      0.306163E+02           0.500000E+00     
  4      0.103850E+02           0.439200E+00     
P   1
  1      0.196788E+01           1.0000000        
P   1
  1      0.207100E+00           1.0000000        
D   3
  1      0.238504E+02           0.752198E-01     
  2      0.634337E+01           0.307736E+00     
  3      0.187108E+01           0.500000E+00     
D   1
  1      0.464174E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ni
data:
NICKEL
S   5
  1      0.294618E+05           0.541036E-02     
  2      0.443148E+04           0.406524E-01     
  3      0.100757E+04           0.185964E+00     
  4      0.282862E+03           0.500000E+00     
  5      0.903181E+02           0.484814E+00     
S   2
  1      0.142284E+02           0.500000E+00     
  2      0.506436E+01           0.155521E+00     
S   2
  1      0.206315E+01           0.500000E+00     
  2      0.803049E+00           0.280995E+00     
S   1
  1      0.127906E+00           1.0000000        
S   1
  1      0.463250E-01           1.0000000        
P   4
  1      0.463143E+03           0.279126E-01     
  2      0.108394E+03           0.179562E+00     
  3      0.333251E+02           0.500000E+00     
  4      0.113358E+02           0.437724E+00     
P   1
  1      0.216442E+01           1.0000000        
P   1
  1      0.227100E+00           1.0000000        
D   3
  1      0.263821E+02           0.757830E-01     
  2      0.704784E+01           0.309889E+00     
  3      0.208262E+01           0.500000E+00     
D   1
  1      0.515388E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Cu
data:
COPPER
S   5
  1      0.316793E+05           0.539861E-02     
  2      0.476496E+04           0.405702E-01     
  3      0.108341E+04           0.185705E+00     
  4      0.304220E+03           0.500000E+00     
  5      0.972236E+02           0.485801E+00     
S   2
  1      0.153760E+02           0.500000E+00     
  2      0.546267E+01           0.153638E+00     
S   2
  1      0.225868E+01           0.500000E+00     
  2      0.877373E+00           0.286628E+00     
S   1
  1      0.135951E+00           1.0000000        
S   1
  1      0.483524E-01           1.0000000        
P   4
  1      0.501281E+03           0.277537E-01     
  2      0.117389E+03           0.179100E+00     
  3      0.361460E+02           0.500000E+00     
  4      0.123265E+02           0.436368E+00     
P   1
  1      0.236909E+01           1.0000000        
P   1
  1      0.247800E+00           1.0000000        
D   3
  1      0.290065E+02           0.763189E-01     
  2      0.777833E+01           0.311908E+00     
  3      0.230128E+01           0.500000E+00     
D   1
  1      0.568254E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Zn
data:
ZINC
S   5
  1      0.339772E+05           0.538766E-02     
  2      0.511057E+04           0.404933E-01     
  3      0.116200E+04           0.185464E+00     
  4      0.326353E+03           0.500000E+00     
  5      0.104382E+03           0.486705E+00     
S   2
  1      0.165695E+02           0.500000E+00     
  2      0.587729E+01           0.151983E+00     
S   2
  1      0.246171E+01           0.500000E+00     
  2      0.953587E+00           0.292116E+00     
S   1
  1      0.143924E+00           1.0000000        
S   1
  1      0.504977E-01           1.0000000        
P   4
  1      0.540828E+03           0.276127E-01     
  2      0.126719E+03           0.178698E+00     
  3      0.390746E+02           0.500000E+00     
  4      0.133557E+02           0.435039E+00     
P   1
  1      0.258060E+01           1.0000000        
P   1
  1      0.269000E+00           1.0000000        
D   3
  1      0.318069E+02           0.765742E-01     
  2      0.855879E+01           0.313316E+00     
  3      0.253648E+01           0.500000E+00     
D   1
  1      0.626172E+00           1.0000000


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ga
data:
GALLIUM
S   5
  1      0.363832E+05           0.537458E-02     
  2      0.547236E+04           0.404020E-01     
  3      0.124427E+04           0.185173E+00     
  4      0.349525E+03           0.500000E+00     
  5      0.111882E+03           0.488178E+00     
S   2
  1      0.177902E+02           0.500000E+00     
  2      0.629477E+01           0.151579E+00     
S   2
  1      0.265440E+01           0.500000E+00     
  2      0.106191E+01           0.285106E+00     
S   1
  1      0.191830E+00           1.0000000        
S   1
  1      0.708992E-01           1.0000000        
P   4
  1      0.590765E+03           0.269015E-01     
  2      0.138526E+03           0.175534E+00     
  3      0.427719E+02           0.500000E+00     
  4      0.144142E+02           0.459202E+00     
P   2
  1      0.578255E+01           0.336699E+00     
  2      0.190383E+01           0.500000E+00     
P   1
  1      0.469000E+00           1.0000000        
P   1
  1      0.953941E-01           1.0000000        
D   4
  1      0.377978E+02           0.688352E-01     
  2      0.102757E+02           0.296067E+00     
  3      0.314520E+01           0.500000E+00     
  4      0.844304E+00           0.410965E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Ge
data:
GERMANIUM
S   5
  1      0.388783E+05           0.536147E-02     
  2      0.584760E+04           0.403097E-01     
  3      0.132962E+04           0.184873E+00     
  4      0.373574E+03           0.500000E+00     
  5      0.119675E+03           0.489703E+00     
S   2
  1      0.190606E+02           0.500000E+00     
  2      0.672257E+01           0.149927E+00     
S   2
  1      0.287134E+01           0.500000E+00     
  2      0.117391E+01           0.280916E+00     
S   1
  1      0.236832E+00           1.0000000        
S   1
  1      0.900731E-01           1.0000000        
P   4
  1      0.635600E+03           0.267031E-01     
  2      0.149115E+03           0.174812E+00     
  3      0.461027E+02           0.500000E+00     
  4      0.155704E+02           0.460314E+00     
P   2
  1      0.628705E+01           0.336151E+00     
  2      0.208781E+01           0.500000E+00     
P   1
  1      0.511000E+00           1.0000000        
P   1
  1      0.122755E+00           1.0000000        
D   4
  1      0.432918E+02           0.650090E-01     
  2      0.118735E+02           0.287297E+00     
  3      0.370200E+01           0.500000E+00     
  4      0.103731E+01           0.400417E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: As
data:
ARSENIC
S   5
  1      0.414610E+05           0.534865E-02     
  2      0.623600E+04           0.402196E-01     
  3      0.141795E+04           0.184580E+00     
  4      0.398463E+03           0.500000E+00     
  5      0.127741E+03           0.491213E+00     
S   2
  1      0.203741E+02           0.500000E+00     
  2      0.716232E+01           0.148399E+00     
S   2
  1      0.309666E+01           0.500000E+00     
  2      0.128886E+01           0.273464E+00     
S   1
  1      0.284441E+00           1.0000000        
S   1
  1      0.109424E+00           1.0000000        
P   4
  1      0.682296E+03           0.265083E-01     
  2      0.160147E+03           0.174089E+00     
  3      0.495760E+02           0.500000E+00     
  4      0.167787E+02           0.461611E+00     
P   2
  1      0.681774E+01           0.335937E+00     
  2      0.228676E+01           0.500000E+00     
P   1
  1      0.557000E+00           1.0000000        
P   1
  1      0.148695E+00           1.0000000        
D   4
  1      0.489615E+02           0.619766E-01     
  2      0.135265E+02           0.280228E+00     
  3      0.427947E+01           0.500000E+00     
  4      0.123961E+01           0.391867E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Se
data:
SELENIUM
S   5
  1      0.441310E+05           0.533617E-02     
  2      0.663752E+04           0.401318E-01     
  3      0.150926E+04           0.184295E+00     
  4      0.424191E+03           0.500000E+00     
  5      0.136083E+03           0.492695E+00     
S   2
  1      0.217308E+02           0.500000E+00     
  2      0.761334E+01           0.146978E+00     
S   2
  1      0.333147E+01           0.500000E+00     
  2      0.140758E+01           0.264374E+00     
S   1
  1      0.336841E+00           1.0000000        
S   1
  1      0.130037E+00           1.0000000        
P   4
  1      0.730683E+03           0.263230E-01     
  2      0.171579E+03           0.173397E+00     
  3      0.531782E+02           0.500000E+00     
  4      0.180335E+02           0.462849E+00     
P   2
  1      0.736874E+01           0.336699E+00     
  2      0.249718E+01           0.500000E+00     
P   1
  1      0.608000E+00           1.0000000        
P   1
  1      0.166711E+00           1.0000000        
D   4
  1      0.548664E+02           0.594560E-01     
  2      0.152522E+02           0.274274E+00     
  3      0.488462E+01           0.500000E+00     
  4      0.145388E+01           0.385189E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Br
data:
BROMINE
S   5
  1      0.468848E+05           0.532454E-02     
  2      0.705162E+04           0.400501E-01     
  3      0.160345E+04           0.184027E+00     
  4      0.450738E+03           0.500000E+00     
  5      0.144695E+03           0.494129E+00     
S   2
  1      0.231310E+02           0.500000E+00     
  2      0.807604E+01           0.145671E+00     
S   2
  1      0.357673E+01           0.500000E+00     
  2      0.152921E+01           0.254462E+00     
S   1
  1      0.392567E+00           1.0000000        
S   1
  1      0.152061E+00           1.0000000        
P   4
  1      0.780979E+03           0.261402E-01     
  2      0.183466E+03           0.172703E+00     
  3      0.569267E+02           0.500000E+00     
  4      0.193422E+02           0.464252E+00     
P   2
  1      0.794632E+01           0.337645E+00     
  2      0.272289E+01           0.500000E+00     
P   1
  1      0.662528E+00           1.0000000        
P   1
  1      0.186728E+00           1.0000000        
D   4
  1      0.609751E+02           0.573607E-01     
  2      0.170404E+02           0.269292E+00     
  3      0.551321E+01           0.500000E+00     
  4      0.167820E+01           0.379425E+00


name: pcseg-0
description: Valence Double Zeta, DFT optimized
elt: Kr
data:
KRYPTON
S   5
  1      0.497228E+05           0.531350E-02     
  2      0.747846E+04           0.399720E-01     
  3      0.170053E+04           0.183772E+00     
  4      0.478103E+03           0.500000E+00     
  5      0.153577E+03           0.495503E+00     
S   2
  1      0.245755E+02           0.500000E+00     
  2      0.855124E+01           0.144506E+00     
S   2
  1      0.383235E+01           0.500000E+00     
  2      0.165324E+01           0.244141E+00     
S   1
  1      0.451884E+00           1.0000000        
S   1
  1      0.175239E+00           1.0000000        
P   4
  1      0.833270E+03           0.259578E-01     
  2      0.195825E+03           0.171999E+00     
  3      0.608271E+02           0.500000E+00     
  4      0.207066E+02           0.465842E+00     
P   2
  1      0.855102E+01           0.338680E+00     
  2      0.296419E+01           0.500000E+00     
P   1
  1      0.722266E+00           1.0000000        
P   1
  1      0.208235E+00           1.0000000        
D   4
  1      0.673487E+02           0.555383E-01     
  2      0.189103E+02           0.264899E+00     
  3      0.617329E+01           0.500000E+00     
  4      0.191513E+01           0.375069E+00


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: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: H
data:
HYDROGEN
S   3
  1      0.122518E+02           0.233371E-01     
  2      0.186871E+01           0.159150E+00     
  3      0.418208E+00           0.500000E+00     
S   1
  1      0.106100E+00           1.0000000        
P   1
  1      0.100000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: He
data:
HELIUM
S   3
  1      0.368654E+02           0.273556E-01     
  2      0.558021E+01           0.174855E+00     
  3      0.119170E+01           0.500000E+00     
S   1
  1      0.268925E+00           1.0000000        
P   1
  1      0.145000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Li
data:
LITHIUM
S   5
  1      0.266550E+03           0.692856E-02     
  2      0.401783E+02           0.510275E-01     
  3      0.911212E+01           0.213471E+00     
  4      0.245522E+01           0.500000E+00     
  5      0.694841E+00           0.458402E+00     
S   2
  1      0.770103E+00          -0.703100E-01     
  2      0.778623E-01           0.500000E+00     
S   1
  1      0.284580E-01           1.0000000        
P   2
  1      0.114709E+01           0.106358E+00     
  2      0.213473E+00           0.500000E+00     
P   1
  1      0.477473E-01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Be
data:
BERYLLIUM
S   5
  1      0.513214E+03           0.644549E-02     
  2      0.773054E+02           0.477643E-01     
  3      0.175526E+02           0.205052E+00     
  4      0.479646E+01           0.500000E+00     
  5      0.139666E+01           0.472486E+00     
S   2
  1      0.196613E+01          -0.693660E-01     
  2      0.176151E+00           0.500000E+00     
S   1
  1      0.577841E-01           1.0000000        
P   2
  1      0.179454E+01           0.111210E+00     
  2      0.341727E+00           0.500000E+00     
P   1
  1      0.758163E-01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: B
data:
BORON
S   5
  1      0.838694E+03           0.619052E-02     
  2      0.126282E+03           0.460299E-01     
  3      0.286810E+02           0.200656E+00     
  4      0.788757E+01           0.500000E+00     
  5      0.233465E+01           0.477076E+00     
S   2
  1      0.345968E+01          -0.703405E-01     
  2      0.317058E+00           0.500000E+00     
S   1
  1      0.993303E-01           1.0000000        
P   3
  1      0.584610E+01           0.419175E-01     
  2      0.120682E+01           0.217800E+00     
  3      0.327997E+00           0.500000E+00     
P   1
  1      0.864963E-01           1.0000000        
D   1
  1      0.700000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: C
data:
CARBON
S   5
  1      0.124320E+04           0.603366E-02     
  2      0.187145E+03           0.449576E-01     
  3      0.425126E+02           0.197901E+00     
  4      0.117393E+02           0.500000E+00     
  5      0.350548E+01           0.480364E+00     
S   2
  1      0.539089E+01          -0.703980E-01     
  2      0.493341E+00           0.500000E+00     
S   1
  1      0.149741E+00           1.0000000        
P   3
  1      0.918056E+01           0.431701E-01     
  2      0.193658E+01           0.224999E+00     
  3      0.526296E+00           0.500000E+00     
P   1
  1      0.136319E+00           1.0000000        
D   1
  1      0.800000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: N
data:
NITROGEN
S   5
  1      0.172632E+04           0.593077E-02     
  2      0.259827E+03           0.442539E-01     
  3      0.590335E+02           0.196096E+00     
  4      0.163509E+02           0.500000E+00     
  5      0.491084E+01           0.482987E+00     
S   2
  1      0.775894E+01          -0.703356E-01     
  2      0.705573E+00           0.500000E+00     
S   1
  1      0.209286E+00           1.0000000        
P   3
  1      0.131844E+02           0.440747E-01     
  2      0.281860E+01           0.230478E+00     
  3      0.765571E+00           0.500000E+00     
P   1
  1      0.195949E+00           1.0000000        
D   1
  1      0.900000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: O
data:
OXYGEN
S   5
  1      0.228864E+04           0.585468E-02     
  2      0.344416E+03           0.437333E-01     
  3      0.782538E+02           0.194796E+00     
  4      0.217195E+02           0.500000E+00     
  5      0.655907E+01           0.484614E+00     
S   2
  1      0.104656E+02          -0.713343E-01     
  2      0.964351E+00           0.500000E+00     
S   1
  1      0.285127E+00           1.0000000        
P   3
  1      0.170590E+02           0.474439E-01     
  2      0.368999E+01           0.242689E+00     
  3      0.992996E+00           0.500000E+00     
P   1
  1      0.244924E+00           1.0000000        
D   1
  1      0.100000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: F
data:
FLUORINE
S   5
  1      0.293155E+04           0.579504E-02     
  2      0.441125E+03           0.433238E-01     
  3      0.100232E+03           0.193739E+00     
  4      0.278655E+02           0.500000E+00     
  5      0.844470E+01           0.486420E+00     
S   2
  1      0.136123E+02          -0.719785E-01     
  2      0.126122E+01           0.500000E+00     
S   1
  1      0.370800E+00           1.0000000        
P   3
  1      0.219305E+02           0.488771E-01     
  2      0.478552E+01           0.247830E+00     
  3      0.128378E+01           0.500000E+00     
P   1
  1      0.311558E+00           1.0000000        
D   1
  1      0.110000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ne
data:
NEON
S   5
  1      0.365269E+04           0.575083E-02     
  2      0.549598E+03           0.430203E-01     
  3      0.124889E+03           0.192958E+00     
  4      0.347693E+02           0.500000E+00     
  5      0.105643E+02           0.487878E+00     
S   2
  1      0.172034E+02          -0.722200E-01     
  2      0.159348E+01           0.500000E+00     
S   1
  1      0.464939E+00           1.0000000        
P   3
  1      0.275577E+02           0.496379E-01     
  2      0.605034E+01           0.250893E+00     
  3      0.162110E+01           0.500000E+00     
P   1
  1      0.390181E+00           1.0000000        
D   1
  1      0.120000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Na
data:
SODIUM
S   7
  1      0.219036E+05           0.796012E-03     
  2      0.328624E+04           0.614434E-02     
  3      0.748016E+03           0.313507E-01     
  4      0.211598E+03           0.119245E+00     
  5      0.684819E+02           0.324337E+00     
  6      0.242414E+02           0.500000E+00     
  7      0.890835E+01           0.277280E+00     
S   3
  1      0.209903E+02          -0.780809E-01     
  2      0.200831E+01           0.527383E+00     
  3      0.637279E+00           0.500000E+00     
S   1
  1      0.587726E-01           1.0000000        
S   1
  1      0.233057E-01           1.0000000        
P   6
  1      0.135738E+03           0.702531E-02     
  2      0.316045E+02           0.516381E-01     
  3      0.968275E+01           0.197591E+00     
  4      0.336969E+01           0.421145E+00     
  5      0.117061E+01           0.500000E+00     
  6      0.376739E+00           0.262788E+00     
P   1
  1      0.750000E-01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Mg
data:
MAGNESIUM
S   7
  1      0.264576E+05           0.783649E-03     
  2      0.396929E+04           0.604998E-02     
  3      0.903446E+03           0.308916E-01     
  4      0.255556E+03           0.117807E+00     
  5      0.827415E+02           0.322294E+00     
  6      0.293478E+02           0.500000E+00     
  7      0.108238E+02           0.282422E+00     
S   3
  1      0.251406E+02          -0.786240E-01     
  2      0.249250E+01           0.518640E+00     
  3      0.844000E+00           0.500000E+00     
S   1
  1      0.999808E-01           1.0000000        
S   1
  1      0.359920E-01           1.0000000        
P   6
  1      0.177774E+03           0.633379E-02     
  2      0.414783E+02           0.474014E-01     
  3      0.128188E+02           0.185640E+00     
  4      0.451684E+01           0.411458E+00     
  5      0.161289E+01           0.500000E+00     
  6      0.545656E+00           0.249166E+00     
P   1
  1      0.135000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Al
data:
ALUMINUM
S   7
  1      0.314930E+05           0.772081E-03     
  2      0.472479E+04           0.596117E-02     
  3      0.107541E+04           0.304560E-01     
  4      0.304198E+03           0.116420E+00     
  5      0.985259E+02           0.320188E+00     
  6      0.350079E+02           0.500000E+00     
  7      0.129514E+02           0.287575E+00     
S   3
  1      0.297115E+02          -0.804805E-01     
  2      0.302938E+01           0.521165E+00     
  3      0.107954E+01           0.500000E+00     
S   1
  1      0.155890E+00           1.0000000        
S   1
  1      0.558575E-01           1.0000000        
P   6
  1      0.249234E+03           0.493890E-02     
  2      0.582857E+02           0.379957E-01     
  3      0.182788E+02           0.154524E+00     
  4      0.657003E+01           0.372030E+00     
  5      0.243373E+01           0.500000E+00     
  6      0.876458E+00           0.291025E+00     
P   2
  1      0.394856E+00           0.166656E+00     
  2      0.143539E+00           0.500000E+00     
P   1
  1      0.462621E-01           1.0000000        
D   1
  1      0.400000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Si
data:
SILICON
S   7
  1      0.369680E+05           0.762336E-03     
  2      0.554596E+04           0.588668E-02     
  3      0.126231E+04           0.300904E-01     
  4      0.357070E+03           0.115247E+00     
  5      0.115686E+03           0.318407E+00     
  6      0.411630E+02           0.500000E+00     
  7      0.152701E+02           0.291844E+00     
S   3
  1      0.347095E+02          -0.827476E-01     
  2      0.361290E+01           0.530946E+00     
  3      0.133671E+01           0.500000E+00     
S   1
  1      0.218570E+00           1.0000000        
S   1
  1      0.775716E-01           1.0000000        
P   6
  1      0.310339E+03           0.454351E-02     
  2      0.727046E+02           0.353002E-01     
  3      0.229262E+02           0.146120E+00     
  4      0.829551E+01           0.362053E+00     
  5      0.311573E+01           0.500000E+00     
  6      0.114622E+01           0.289049E+00     
P   2
  1      0.527980E+00           0.201725E+00     
  2      0.190994E+00           0.500000E+00     
P   1
  1      0.633721E-01           1.0000000        
D   1
  1      0.450000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: P
data:
PHOSPHORUS
S   7
  1      0.429302E+05           0.752902E-03     
  2      0.644049E+04           0.581420E-02     
  3      0.146589E+04           0.297346E-01     
  4      0.414647E+03           0.114096E+00     
  5      0.134362E+03           0.316618E+00     
  6      0.478575E+02           0.500000E+00     
  7      0.177916E+02           0.295798E+00     
S   3
  1      0.401278E+02          -0.851533E-01     
  2      0.424466E+01           0.544223E+00     
  3      0.161562E+01           0.500000E+00     
S   1
  1      0.288820E+00           1.0000000        
S   1
  1      0.101289E+00           1.0000000        
P   6
  1      0.378945E+03           0.422246E-02     
  2      0.889132E+02           0.330712E-01     
  3      0.281600E+02           0.139057E+00     
  4      0.102445E+02           0.353164E+00     
  5      0.389172E+01           0.500000E+00     
  6      0.145411E+01           0.289954E+00     
P   2
  1      0.690320E+00           0.221541E+00     
  2      0.251733E+00           0.500000E+00     
P   1
  1      0.843311E-01           1.0000000        
D   1
  1      0.500000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: S
data:
SULFUR
S   7
  1      0.492994E+05           0.745680E-03     
  2      0.739584E+04           0.575893E-02     
  3      0.168330E+04           0.294637E-01     
  4      0.476144E+03           0.113223E+00     
  5      0.154329E+03           0.315267E+00     
  6      0.550288E+02           0.500000E+00     
  7      0.205029E+02           0.299093E+00     
S   3
  1      0.459596E+02          -0.874744E-01     
  2      0.492740E+01           0.558303E+00     
  3      0.191799E+01           0.500000E+00     
S   1
  1      0.368498E+00           1.0000000        
S   1
  1      0.129165E+00           1.0000000        
P   6
  1      0.451662E+03           0.400554E-02     
  2      0.106098E+03           0.315665E-01     
  3      0.336996E+02           0.134441E+00     
  4      0.123054E+02           0.347659E+00     
  5      0.471412E+01           0.500000E+00     
  6      0.178105E+01           0.287922E+00     
P   2
  1      0.872235E+00           0.243521E+00     
  2      0.310278E+00           0.500000E+00     
P   1
  1      0.100194E+00           1.0000000        
D   1
  1      0.550000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Cl
data:
CHLORINE
S   7
  1      0.561295E+05           0.739040E-03     
  2      0.842032E+04           0.570820E-02     
  3      0.191646E+04           0.292141E-01     
  4      0.542099E+03           0.112411E+00     
  5      0.175740E+03           0.313999E+00     
  6      0.627191E+02           0.500000E+00     
  7      0.234123E+02           0.302077E+00     
S   3
  1      0.522067E+02          -0.897496E-01     
  2      0.566022E+01           0.573007E+00     
  3      0.224230E+01           0.500000E+00     
S   1
  1      0.456488E+00           1.0000000        
S   1
  1      0.159693E+00           1.0000000        
P   6
  1      0.533333E+03           0.379695E-02     
  2      0.125415E+03           0.300914E-01     
  3      0.399394E+02           0.129733E+00     
  4      0.146334E+02           0.341517E+00     
  5      0.564837E+01           0.500000E+00     
  6      0.215360E+01           0.289333E+00     
P   2
  1      0.108810E+01           0.252417E+00     
  2      0.387168E+00           0.500000E+00     
P   1
  1      0.123929E+00           1.0000000        
D   1
  1      0.600000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ar
data:
ARGON
S   7
  1      0.634098E+05           0.733121E-03     
  2      0.951233E+04           0.566292E-02     
  3      0.216496E+04           0.289917E-01     
  4      0.612389E+03           0.111687E+00     
  5      0.198562E+03           0.312856E+00     
  6      0.709178E+02           0.500000E+00     
  7      0.265171E+02           0.304730E+00     
S   3
  1      0.588706E+02          -0.919772E-01     
  2      0.644247E+01           0.588195E+00     
  3      0.258785E+01           0.500000E+00     
S   1
  1      0.552744E+00           1.0000000        
S   1
  1      0.192488E+00           1.0000000        
P   6
  1      0.621842E+03           0.362367E-02     
  2      0.146357E+03           0.288584E-01     
  3      0.467050E+02           0.125773E+00     
  4      0.171619E+02           0.336195E+00     
  5      0.666792E+01           0.500000E+00     
  6      0.256045E+01           0.291186E+00     
P   2
  1      0.131958E+01           0.259971E+00     
  2      0.470543E+00           0.500000E+00     
P   1
  1      0.150307E+00           1.0000000        
D   1
  1      0.650000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: K
data:
POTASSIUM
S   6
  1      0.316106E+05           0.192562E-02     
  2      0.474706E+04           0.147484E-01     
  3      0.108035E+04           0.728859E-01     
  4      0.304885E+03           0.250460E+00     
  5      0.987814E+02           0.500000E+00     
  6      0.337028E+02           0.375726E+00     
S   4
  1      0.654776E+02          -0.841271E-01     
  2      0.748464E+01           0.500000E+00     
  3      0.320503E+01           0.464317E+00     
  4      0.102359E+01           0.509269E-01     
S   2
  1      0.647373E+00           0.500000E+00     
  2      0.230414E+00           0.195200E+00     
S   1
  1      0.377435E-01           1.0000000        
S   1
  1      0.142198E-01           1.0000000        
P   6
  1      0.678654E+03           0.380540E-02     
  2      0.159791E+03           0.302753E-01     
  3      0.509469E+02           0.131796E+00     
  4      0.187202E+02           0.347859E+00     
  5      0.729148E+01           0.500000E+00     
  6      0.279182E+01           0.266938E+00     
P   3
  1      0.159167E+01           0.268322E+00     
  2      0.593741E+00           0.500000E+00     
  3      0.206071E+00           0.263890E+00     
P   1
  1      0.496000E-01           1.0000000        
D   3
  1      0.665202E+01           0.762917E-01     
  2      0.161238E+01           0.295364E+00     
  3      0.429003E+00           0.500000E+00     
D   1
  1      0.973407E-01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ca
data:
CALCIUM
S   6
  1      0.352761E+05           0.191287E-02     
  2      0.529742E+04           0.146530E-01     
  3      0.120560E+04           0.724657E-01     
  4      0.340268E+03           0.249552E+00     
  5      0.110326E+03           0.500000E+00     
  6      0.376890E+02           0.378890E+00     
S   4
  1      0.729140E+02          -0.831772E-01     
  2      0.838675E+01           0.500000E+00     
  3      0.362879E+01           0.456467E+00     
  4      0.113050E+01           0.508069E-01     
S   2
  1      0.777792E+00           0.500000E+00     
  2      0.300306E+00           0.198722E+00     
S   1
  1      0.612191E-01           1.0000000        
S   1
  1      0.232795E-01           1.0000000        
P   6
  1      0.777741E+03           0.365637E-02     
  2      0.183241E+03           0.292122E-01     
  3      0.585250E+02           0.128332E+00     
  4      0.215602E+02           0.343242E+00     
  5      0.844731E+01           0.500000E+00     
  6      0.326211E+01           0.270477E+00     
P   3
  1      0.189530E+01           0.273762E+00     
  2      0.733370E+00           0.500000E+00     
  3      0.269575E+00           0.242372E+00     
P   1
  1      0.668000E-01           1.0000000        
D   3
  1      0.830114E+01           0.737252E-01     
  2      0.204947E+01           0.292487E+00     
  3      0.561615E+00           0.500000E+00     
D   1
  1      0.132559E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Sc
data:
SCANDIUM
S   6
  1      0.391008E+05           0.190352E-02     
  2      0.587169E+04           0.145831E-01     
  3      0.133627E+04           0.721609E-01     
  4      0.377180E+03           0.248917E+00     
  5      0.122366E+03           0.500000E+00     
  6      0.418515E+02           0.380997E+00     
S   4
  1      0.808214E+02          -0.828031E-01     
  2      0.935010E+01           0.500000E+00     
  3      0.407874E+01           0.445369E+00     
  4      0.129222E+01           0.502650E-01     
S   2
  1      0.906171E+00           0.500000E+00     
  2      0.350730E+00           0.202297E+00     
S   1
  1      0.713833E-01           1.0000000        
S   1
  1      0.269153E-01           1.0000000        
P   6
  1      0.879476E+03           0.356025E-02     
  2      0.207316E+03           0.285377E-01     
  3      0.662978E+02           0.126274E+00     
  4      0.244732E+02           0.340912E+00     
  5      0.963232E+01           0.500000E+00     
  6      0.374292E+01           0.270831E+00     
P   3
  1      0.220326E+01           0.279092E+00     
  2      0.857807E+00           0.500000E+00     
  3      0.317049E+00           0.238161E+00     
P   1
  1      0.780000E-01           1.0000000        
D   5
  1      0.294888E+02           0.152859E-01     
  2      0.824425E+01           0.891619E-01     
  3      0.272868E+01           0.271144E+00     
  4      0.967352E+00           0.449546E+00     
  5      0.321267E+00           0.500000E+00     
D   1
  1      0.970742E-01           1.0000000        
F   1
  1      0.931000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ti
data:
TITANIUM
S   6
  1      0.431197E+05           0.189519E-02     
  2      0.647516E+04           0.145208E-01     
  3      0.147359E+04           0.718879E-01     
  4      0.415975E+03           0.248351E+00     
  5      0.135023E+03           0.500000E+00     
  6      0.462318E+02           0.382870E+00     
S   4
  1      0.891483E+02          -0.824262E-01     
  2      0.103678E+02           0.500000E+00     
  3      0.455330E+01           0.435606E+00     
  4      0.146299E+01           0.496620E-01     
S   2
  1      0.104172E+01           0.500000E+00     
  2      0.406143E+00           0.207817E+00     
S   1
  1      0.818418E-01           1.0000000        
S   1
  1      0.309436E-01           1.0000000        
P   6
  1      0.986708E+03           0.348118E-02     
  2      0.232698E+03           0.279830E-01     
  3      0.744934E+02           0.124608E+00     
  4      0.275466E+02           0.339120E+00     
  5      0.108846E+02           0.500000E+00     
  6      0.425174E+01           0.270949E+00     
P   3
  1      0.252996E+01           0.283265E+00     
  2      0.988361E+00           0.500000E+00     
  3      0.367093E+00           0.234630E+00     
P   1
  1      0.900000E-01           1.0000000        
D   5
  1      0.362856E+02           0.151531E-01     
  2      0.102249E+02           0.913776E-01     
  3      0.343745E+01           0.282425E+00     
  4      0.124709E+01           0.472824E+00     
  5      0.429726E+00           0.500000E+00     
D   1
  1      0.131858E+00           1.0000000        
F   1
  1      0.102500E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: V
data:
VANADIUM
S   6
  1      0.473293E+05           0.188790E-02     
  2      0.710720E+04           0.144662E-01     
  3      0.161741E+04           0.716497E-01     
  4      0.456605E+03           0.247859E+00     
  5      0.148283E+03           0.500000E+00     
  6      0.508242E+02           0.384469E+00     
S   4
  1      0.979076E+02          -0.821286E-01     
  2      0.114399E+02           0.500000E+00     
  3      0.504930E+01           0.426310E+00     
  4      0.165050E+01           0.487248E-01     
S   2
  1      0.118496E+01           0.500000E+00     
  2      0.462825E+00           0.215230E+00     
S   1
  1      0.914570E-01           1.0000000        
S   1
  1      0.344979E-01           1.0000000        
P   6
  1      0.109904E+04           0.341756E-02     
  2      0.259292E+03           0.275387E-01     
  3      0.830803E+02           0.123313E+00     
  4      0.307683E+02           0.337875E+00     
  5      0.121985E+02           0.500000E+00     
  6      0.478595E+01           0.270657E+00     
P   3
  1      0.287460E+01           0.286609E+00     
  2      0.112325E+01           0.500000E+00     
  3      0.417167E+00           0.233576E+00     
P   1
  1      0.101000E+00           1.0000000        
D   5
  1      0.422105E+02           0.152518E-01     
  2      0.119584E+02           0.934166E-01     
  3      0.406021E+01           0.289084E+00     
  4      0.148654E+01           0.481736E+00     
  5      0.517117E+00           0.500000E+00     
D   1
  1      0.159051E+00           1.0000000        
F   1
  1      0.112700E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Cr
data:
CHROMIUM
S   6
  1      0.517280E+05           0.188154E-02     
  2      0.776773E+04           0.144185E-01     
  3      0.176773E+04           0.714407E-01     
  4      0.499079E+03           0.247429E+00     
  5      0.162149E+03           0.500000E+00     
  6      0.556312E+02           0.385873E+00     
S   4
  1      0.107093E+03          -0.818647E-01     
  2      0.125660E+02           0.500000E+00     
  3      0.556790E+01           0.417878E+00     
  4      0.184998E+01           0.477229E-01     
S   2
  1      0.133608E+01           0.500000E+00     
  2      0.522186E+00           0.222769E+00     
S   1
  1      0.101192E+00           1.0000000        
S   1
  1      0.379481E-01           1.0000000        
P   6
  1      0.121694E+04           0.336341E-02     
  2      0.287202E+03           0.271619E-01     
  3      0.920920E+02           0.122235E+00     
  4      0.341502E+02           0.336930E+00     
  5      0.135790E+02           0.500000E+00     
  6      0.534791E+01           0.270260E+00     
P   3
  1      0.323859E+01           0.289343E+00     
  2      0.126466E+01           0.500000E+00     
  3      0.469192E+00           0.233201E+00     
P   1
  1      0.113000E+00           1.0000000        
D   5
  1      0.480525E+02           0.154866E-01     
  2      0.136735E+02           0.957797E-01     
  3      0.467843E+01           0.295828E+00     
  4      0.172198E+01           0.488965E+00     
  5      0.601331E+00           0.500000E+00     
D   1
  1      0.184366E+00           1.0000000        
F   1
  1      0.124000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Mn
data:
MANGANESE
S   6
  1      0.563240E+05           0.187561E-02     
  2      0.845777E+04           0.143742E-01     
  3      0.192476E+04           0.712467E-01     
  4      0.543440E+03           0.247033E+00     
  5      0.176629E+03           0.500000E+00     
  6      0.606537E+02           0.387119E+00     
S   4
  1      0.116704E+03          -0.816294E-01     
  2      0.137458E+02           0.500000E+00     
  3      0.610862E+01           0.410186E+00     
  4      0.206026E+01           0.466709E-01     
S   2
  1      0.149449E+01           0.500000E+00     
  2      0.583884E+00           0.230352E+00     
S   1
  1      0.110634E+00           1.0000000        
S   1
  1      0.412430E-01           1.0000000        
P   6
  1      0.134041E+04           0.331662E-02     
  2      0.316440E+03           0.268363E-01     
  3      0.101533E+03           0.121317E+00     
  4      0.376952E+02           0.336177E+00     
  5      0.150269E+02           0.500000E+00     
  6      0.593768E+01           0.269791E+00     
P   3
  1      0.362197E+01           0.291374E+00     
  2      0.141230E+01           0.500000E+00     
  3      0.522848E+00           0.233359E+00     
P   1
  1      0.125000E+00           1.0000000        
D   5
  1      0.543583E+02           0.155922E-01     
  2      0.155312E+02           0.972824E-01     
  3      0.535034E+01           0.300763E+00     
  4      0.197962E+01           0.494578E+00     
  5      0.694554E+00           0.500000E+00     
D   1
  1      0.213364E+00           1.0000000        
F   1
  1      0.136400E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Fe
data:
IRON
S   6
  1      0.611208E+05           0.186994E-02     
  2      0.917788E+04           0.143321E-01     
  3      0.208858E+04           0.710640E-01     
  4      0.589714E+03           0.246660E+00     
  5      0.191734E+03           0.500000E+00     
  6      0.658939E+02           0.388271E+00     
S   4
  1      0.126731E+03          -0.814107E-01     
  2      0.149798E+02           0.500000E+00     
  3      0.667445E+01           0.403376E+00     
  4      0.228282E+01           0.457264E-01     
S   2
  1      0.166099E+01           0.500000E+00     
  2      0.649495E+00           0.235469E+00     
S   1
  1      0.117778E+00           1.0000000        
S   1
  1      0.427351E-01           1.0000000        
P   6
  1      0.147001E+04           0.327351E-02     
  2      0.347130E+03           0.265351E-01     
  3      0.111447E+03           0.120453E+00     
  4      0.414219E+02           0.335397E+00     
  5      0.165515E+02           0.500000E+00     
  6      0.655951E+01           0.269494E+00     
P   3
  1      0.402754E+01           0.292780E+00     
  2      0.157010E+01           0.500000E+00     
  3      0.581064E+00           0.232018E+00     
P   1
  1      0.138000E+00           1.0000000        
D   5
  1      0.595410E+02           0.164335E-01     
  2      0.170517E+02           0.102608E+00     
  3      0.589656E+01           0.313394E+00     
  4      0.217936E+01           0.504816E+00     
  5      0.759780E+00           0.500000E+00     
D   1
  1      0.229971E+00           1.0000000        
F   1
  1      0.150000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Co
data:
COBALT
S   6
  1      0.660912E+05           0.186548E-02     
  2      0.992418E+04           0.142987E-01     
  3      0.225843E+04           0.709175E-01     
  4      0.637713E+03           0.246365E+00     
  5      0.207415E+03           0.500000E+00     
  6      0.713421E+02           0.389230E+00     
S   4
  1      0.137187E+03          -0.812052E-01     
  2      0.162666E+02           0.500000E+00     
  3      0.726156E+01           0.397030E+00     
  4      0.251550E+01           0.447426E-01     
S   2
  1      0.183509E+01           0.500000E+00     
  2      0.717218E+00           0.240983E+00     
S   1
  1      0.124883E+00           1.0000000        
S   1
  1      0.442420E-01           1.0000000        
P   6
  1      0.160526E+04           0.323568E-02     
  2      0.379149E+03           0.262722E-01     
  3      0.121788E+03           0.119709E+00     
  4      0.453110E+02           0.334772E+00     
  5      0.181433E+02           0.500000E+00     
  6      0.720897E+01           0.269125E+00     
P   3
  1      0.445203E+01           0.294017E+00     
  2      0.173403E+01           0.500000E+00     
  3      0.640868E+00           0.231584E+00     
P   1
  1      0.151000E+00           1.0000000        
D   5
  1      0.656220E+02           0.168248E-01     
  2      0.188404E+02           0.105482E+00     
  3      0.654261E+01           0.320220E+00     
  4      0.242111E+01           0.510102E+00     
  5      0.842515E+00           0.500000E+00     
D   1
  1      0.253601E+00           1.0000000        
F   1
  1      0.165000E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ni
data:
NICKEL
S   6
  1      0.712691E+05           0.186093E-02     
  2      0.107017E+05           0.142645E-01     
  3      0.243534E+04           0.707685E-01     
  4      0.687695E+03           0.246062E+00     
  5      0.223739E+03           0.500000E+00     
  6      0.770127E+02           0.390160E+00     
S   4
  1      0.148063E+03          -0.810407E-01     
  2      0.176088E+02           0.500000E+00     
  3      0.787312E+01           0.391423E+00     
  4      0.275983E+01           0.438584E-01     
S   2
  1      0.201713E+01           0.500000E+00     
  2      0.787528E+00           0.246308E+00     
S   1
  1      0.132554E+00           1.0000000        
S   1
  1      0.460751E-01           1.0000000        
P   6
  1      0.174616E+04           0.320208E-02     
  2      0.412525E+03           0.260372E-01     
  3      0.132571E+03           0.119052E+00     
  4      0.493665E+02           0.334261E+00     
  5      0.198041E+02           0.500000E+00     
  6      0.788720E+01           0.268761E+00     
P   3
  1      0.489589E+01           0.295195E+00     
  2      0.190493E+01           0.500000E+00     
  3      0.702992E+00           0.231470E+00     
P   1
  1      0.165000E+00           1.0000000        
D   5
  1      0.719655E+02           0.171693E-01     
  2      0.207102E+02           0.108007E+00     
  3      0.721827E+01           0.326242E+00     
  4      0.267357E+01           0.514742E+00     
  5      0.928961E+00           0.500000E+00     
D   1
  1      0.278115E+00           1.0000000        
F   1
  1      0.181500E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Cu
data:
COPPER
S   6
  1      0.766372E+05           0.185685E-02     
  2      0.115079E+05           0.142337E-01     
  3      0.261882E+04           0.706331E-01     
  4      0.739536E+03           0.245788E+00     
  5      0.240673E+03           0.500000E+00     
  6      0.828992E+02           0.391002E+00     
S   4
  1      0.159362E+03          -0.809030E-01     
  2      0.190056E+02           0.500000E+00     
  3      0.850865E+01           0.386407E+00     
  4      0.301482E+01           0.430550E-01     
S   2
  1      0.220701E+01           0.500000E+00     
  2      0.860421E+00           0.251281E+00     
S   1
  1      0.140845E+00           1.0000000        
S   1
  1      0.482383E-01           1.0000000        
P   6
  1      0.189268E+04           0.317232E-02     
  2      0.447221E+03           0.258310E-01     
  3      0.143778E+03           0.118490E+00     
  4      0.535818E+02           0.333882E+00     
  5      0.215313E+02           0.500000E+00     
  6      0.859335E+01           0.268355E+00     
P   3
  1      0.535950E+01           0.296260E+00     
  2      0.208306E+01           0.500000E+00     
  3      0.767566E+00           0.231525E+00     
P   1
  1      0.180000E+00           1.0000000        
D   5
  1      0.785450E+02           0.174901E-01     
  2      0.226523E+02           0.110327E+00     
  3      0.792099E+01           0.331718E+00     
  4      0.293590E+01           0.518899E+00     
  5      0.101874E+01           0.500000E+00     
D   1
  1      0.303322E+00           1.0000000        
F   1
  1      0.199700E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Zn
data:
ZINC
S   6
  1      0.822032E+05           0.185297E-02     
  2      0.123434E+05           0.142051E-01     
  3      0.280889E+04           0.705093E-01     
  4      0.793234E+03           0.245538E+00     
  5      0.258216E+03           0.500000E+00     
  6      0.890002E+02           0.391760E+00     
S   4
  1      0.171085E+03          -0.807753E-01     
  2      0.204557E+02           0.500000E+00     
  3      0.916604E+01           0.381740E+00     
  4      0.327921E+01           0.422389E-01     
S   2
  1      0.240434E+01           0.500000E+00     
  2      0.935398E+00           0.256230E+00     
S   1
  1      0.149043E+00           1.0000000        
S   1
  1      0.504596E-01           1.0000000        
P   6
  1      0.204440E+04           0.314691E-02     
  2      0.483159E+03           0.256552E-01     
  3      0.155392E+03           0.118019E+00     
  4      0.579545E+02           0.333605E+00     
  5      0.233250E+02           0.500000E+00     
  6      0.932731E+01           0.267913E+00     
P   3
  1      0.584243E+01           0.297114E+00     
  2      0.226759E+01           0.500000E+00     
  3      0.833841E+00           0.231863E+00     
P   1
  1      0.195000E+00           1.0000000        
D   5
  1      0.855125E+02           0.177249E-01     
  2      0.247130E+02           0.112110E+00     
  3      0.866791E+01           0.336083E+00     
  4      0.321585E+01           0.522226E+00     
  5      0.111531E+01           0.500000E+00     
D   1
  1      0.331095E+00           1.0000000        
F   1
  1      0.219600E+01           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ga
data:
GALLIUM
S   6
  1      0.880200E+05           0.184835E-02     
  2      0.132168E+05           0.141705E-01     
  3      0.300766E+04           0.703552E-01     
  4      0.849422E+03           0.245199E+00     
  5      0.276595E+03           0.500000E+00     
  6      0.953959E+02           0.392973E+00     
S   4
  1      0.183189E+03          -0.804620E-01     
  2      0.219548E+02           0.500000E+00     
  3      0.985248E+01           0.378347E+00     
  4      0.348869E+01           0.423214E-01     
S   2
  1      0.260770E+01           0.500000E+00     
  2      0.103672E+01           0.254793E+00     
S   1
  1      0.188517E+00           1.0000000        
S   1
  1      0.663048E-01           1.0000000        
P   6
  1      0.222696E+04           0.306402E-02     
  2      0.526420E+03           0.250310E-01     
  3      0.169409E+03           0.115722E+00     
  4      0.632435E+02           0.329792E+00     
  5      0.255018E+02           0.500000E+00     
  6      0.102420E+02           0.272708E+00     
P   3
  1      0.651924E+01           0.290703E+00     
  2      0.264620E+01           0.500000E+00     
  3      0.104896E+01           0.270636E+00     
P   1
  1      0.259549E+00           1.0000000        
P   1
  1      0.646505E-01           1.0000000        
D   6
  1      0.101407E+03           0.153550E-01     
  2      0.294416E+02           0.100547E+00     
  3      0.104513E+02           0.312568E+00     
  4      0.396696E+01           0.510489E+00     
  5      0.143116E+01           0.500000E+00     
  6      0.455184E+00           0.267059E+00     
D   1
  1      0.151000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Ge
data:
GERMANIUM
S   6
  1      0.940720E+05           0.184322E-02     
  2      0.141255E+05           0.141318E-01     
  3      0.321444E+04           0.701834E-01     
  4      0.907847E+03           0.244818E+00     
  5      0.295691E+03           0.500000E+00     
  6      0.102034E+03           0.394247E+00     
S   4
  1      0.195700E+03          -0.801662E-01     
  2      0.235078E+02           0.500000E+00     
  3      0.105672E+02           0.375307E+00     
  4      0.370706E+01           0.426829E-01     
S   2
  1      0.281835E+01           0.500000E+00     
  2      0.114082E+01           0.248819E+00     
S   1
  1      0.231053E+00           1.0000000        
S   1
  1      0.828034E-01           1.0000000        
P   6
  1      0.240479E+04           0.301461E-02     
  2      0.568546E+03           0.246650E-01     
  3      0.183041E+03           0.114443E+00     
  4      0.683859E+02           0.327843E+00     
  5      0.276206E+02           0.500000E+00     
  6      0.111188E+02           0.274897E+00     
P   3
  1      0.709479E+01           0.290052E+00     
  2      0.291066E+01           0.500000E+00     
  3      0.118060E+01           0.269290E+00     
P   1
  1      0.323882E+00           1.0000000        
P   1
  1      0.876833E-01           1.0000000        
D   6
  1      0.117355E+03           0.137980E-01     
  2      0.342013E+02           0.926753E-01     
  3      0.122589E+02           0.295974E+00     
  4      0.472959E+01           0.502164E+00     
  5      0.175580E+01           0.500000E+00     
  6      0.584499E+00           0.252619E+00     
D   1
  1      0.194000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: As
data:
ARSENIC
S   6
  1      0.100314E+06           0.183873E-02     
  2      0.150628E+05           0.140978E-01     
  3      0.342776E+04           0.700313E-01     
  4      0.968153E+03           0.244472E+00     
  5      0.315419E+03           0.500000E+00     
  6      0.108898E+03           0.395452E+00     
S   4
  1      0.208617E+03          -0.798828E-01     
  2      0.251148E+02           0.500000E+00     
  3      0.113102E+02           0.372555E+00     
  4      0.393496E+01           0.432472E-01     
S   2
  1      0.303771E+01           0.500000E+00     
  2      0.124735E+01           0.240289E+00     
S   1
  1      0.276603E+00           1.0000000        
S   1
  1      0.998823E-01           1.0000000        
P   6
  1      0.259071E+04           0.296650E-02     
  2      0.612631E+03           0.243044E-01     
  3      0.197311E+03           0.113168E+00     
  4      0.737719E+02           0.325850E+00     
  5      0.298432E+02           0.500000E+00     
  6      0.120398E+02           0.277240E+00     
P   3
  1      0.768772E+01           0.289577E+00     
  2      0.318206E+01           0.500000E+00     
  3      0.131486E+01           0.264560E+00     
P   1
  1      0.393916E+00           1.0000000        
P   1
  1      0.111712E+00           1.0000000        
D   6
  1      0.133680E+03           0.126655E-01     
  2      0.390846E+02           0.867896E-01     
  3      0.141215E+02           0.283323E+00     
  4      0.551628E+01           0.495738E+00     
  5      0.209379E+01           0.500000E+00     
  6      0.720841E+00           0.242044E+00     
D   1
  1      0.238000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Se
data:
SELENIUM
S   6
  1      0.106781E+06           0.183397E-02     
  2      0.160335E+05           0.140628E-01     
  3      0.364855E+04           0.698778E-01     
  4      0.103051E+04           0.244139E+00     
  5      0.335807E+03           0.500000E+00     
  6      0.115993E+03           0.396624E+00     
S   4
  1      0.221948E+03          -0.795948E-01     
  2      0.267743E+02           0.500000E+00     
  3      0.120806E+02           0.369956E+00     
  4      0.417200E+01           0.439850E-01     
S   2
  1      0.326597E+01           0.500000E+00     
  2      0.135565E+01           0.230246E+00     
S   1
  1      0.326566E+00           1.0000000        
S   1
  1      0.118490E+00           1.0000000        
P   6
  1      0.278531E+04           0.291894E-02     
  2      0.658708E+03           0.239501E-01     
  3      0.212226E+03           0.111895E+00     
  4      0.794029E+02           0.323826E+00     
  5      0.321682E+02           0.500000E+00     
  6      0.130029E+02           0.279638E+00     
P   3
  1      0.829337E+01           0.289271E+00     
  2      0.345432E+01           0.500000E+00     
  3      0.144531E+01           0.255922E+00     
P   1
  1      0.469002E+00           1.0000000        
P   1
  1      0.130992E+00           1.0000000        
D   6
  1      0.150679E+03           0.117597E-01     
  2      0.441776E+02           0.819576E-01     
  3      0.160701E+02           0.272708E+00     
  4      0.634017E+01           0.490039E+00     
  5      0.244942E+01           0.500000E+00     
  6      0.866162E+00           0.233781E+00     
D   1
  1      0.287000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Br
data:
BROMINE
S   6
  1      0.113433E+06           0.182992E-02     
  2      0.170323E+05           0.140321E-01     
  3      0.387589E+04           0.697400E-01     
  4      0.109478E+04           0.243825E+00     
  5      0.356841E+03           0.500000E+00     
  6      0.123317E+03           0.397752E+00     
S   4
  1      0.235689E+03          -0.793206E-01     
  2      0.284876E+02           0.500000E+00     
  3      0.128790E+02           0.367555E+00     
  4      0.441844E+01           0.448874E-01     
S   2
  1      0.350439E+01           0.500000E+00     
  2      0.146525E+01           0.219690E+00     
S   1
  1      0.379819E+00           1.0000000        
S   1
  1      0.138413E+00           1.0000000        
P   6
  1      0.298807E+04           0.287305E-02     
  2      0.706766E+03           0.236047E-01     
  3      0.227783E+03           0.110651E+00     
  4      0.852764E+02           0.321818E+00     
  5      0.345964E+02           0.500000E+00     
  6      0.140102E+02           0.282092E+00     
P   3
  1      0.891769E+01           0.288898E+00     
  2      0.373358E+01           0.500000E+00     
  3      0.157401E+01           0.245944E+00     
P   1
  1      0.550724E+00           1.0000000        
P   1
  1      0.154474E+00           1.0000000        
D   6
  1      0.168232E+03           0.110431E-01     
  2      0.494419E+02           0.780716E-01     
  3      0.180878E+02           0.264128E+00     
  4      0.719405E+01           0.485386E+00     
  5      0.282020E+01           0.500000E+00     
  6      0.101870E+01           0.227220E+00     
D   1
  1      0.337000E+00           1.0000000


name: pcseg-1
description: Polarized Valence Double Zeta, DFT Optimized
elt: Kr
data:
KRYPTON
S   6
  1      0.120331E+06           0.182528E-02     
  2      0.180679E+05           0.139974E-01     
  3      0.411152E+04           0.695845E-01     
  4      0.116136E+04           0.243471E+00     
  5      0.378605E+03           0.500000E+00     
  6      0.130886E+03           0.398923E+00     
S   4
  1      0.249837E+03          -0.790662E-01     
  2      0.302557E+02           0.500000E+00     
  3      0.137065E+02           0.365371E+00     
  4      0.467780E+01           0.459156E-01     
S   2
  1      0.375357E+01           0.500000E+00     
  2      0.157639E+01           0.209292E+00     
S   1
  1      0.436357E+00           1.0000000        
S   1
  1      0.159297E+00           1.0000000        
P   6
  1      0.319862E+04           0.282945E-02     
  2      0.756666E+03           0.232762E-01     
  3      0.243943E+03           0.109451E+00     
  4      0.913837E+02           0.319847E+00     
  5      0.371244E+02           0.500000E+00     
  6      0.150593E+02           0.284531E+00     
P   3
  1      0.956032E+01           0.288540E+00     
  2      0.401982E+01           0.500000E+00     
  3      0.169865E+01           0.235442E+00     
P   1
  1      0.636321E+00           1.0000000        
P   1
  1      0.180236E+00           1.0000000        
D   6
  1      0.186382E+03           0.104609E-01     
  2      0.548882E+02           0.748792E-01     
  3      0.201773E+02           0.257087E+00     
  4      0.807921E+01           0.481565E+00     
  5      0.320673E+01           0.500000E+00     
  6      0.117886E+01           0.221870E+00     
D   1
  1      0.393000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: H
data:
HYDROGEN
S   4
  1      0.754732E+02           0.427821E-02     
  2      0.113575E+02           0.328672E-01     
  3      0.260081E+01           0.159578E+00     
  4      0.735503E+00           0.500000E+00     
S   1
  1      0.231761E+00           1.0000000        
S   1
  1      0.741675E-01           1.0000000        
P   1
  1      0.160000E+01           1.0000000        
P   1
  1      0.450000E+00           1.0000000        
D   1
  1      0.125000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: He
data:
HELIUM
S   4
  1      0.221782E+03           0.504144E-02     
  2      0.333758E+02           0.381184E-01     
  3      0.761157E+01           0.175609E+00     
  4      0.210893E+01           0.500000E+00     
S   1
  1      0.628783E+00           1.0000000        
S   1
  1      0.184690E+00           1.0000000        
P   1
  1      0.240000E+01           1.0000000        
P   1
  1      0.680000E+00           1.0000000        
D   1
  1      0.180000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Li
data:
LITHIUM
S   7
  1      0.155855E+04           0.820882E-03     
  2      0.233908E+03           0.633220E-02     
  3      0.532801E+02           0.321400E-01     
  4      0.150819E+02           0.119124E+00     
  5      0.483549E+01           0.308154E+00     
  6      0.165502E+01           0.500000E+00     
  7      0.580558E+00           0.376030E+00     
S   2
  1      0.770933E+00          -0.847279E-01     
  2      0.751972E-01           0.500000E+00     
S   1
  1      0.684458E-01           1.0000000        
S   1
  1      0.257666E-01           1.0000000        
P   3
  1      0.237235E+01           0.394733E-01     
  2      0.468805E+00           0.203928E+00     
  3      0.127393E+00           0.500000E+00     
P   1
  1      0.348095E-01           1.0000000        
D   1
  1      0.260000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Be
data:
BERYLLIUM
S   7
  1      0.294475E+04           0.773431E-03     
  2      0.441879E+03           0.596942E-02     
  3      0.100624E+03           0.304024E-01     
  4      0.284712E+02           0.114358E+00     
  5      0.914444E+01           0.305833E+00     
  6      0.317664E+01           0.500000E+00     
  7      0.112275E+01           0.347539E+00     
S   2
  1      0.192303E+01          -0.886331E-01     
  2      0.191413E+00           0.500000E+00     
S   1
  1      0.833307E-01           1.0000000        
S   1
  1      0.374215E-01           1.0000000        
P   3
  1      0.372379E+01           0.406783E-01     
  2      0.752088E+00           0.210745E+00     
  3      0.204375E+00           0.500000E+00     
P   1
  1      0.548729E-01           1.0000000        
D   1
  1      0.390000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: B
data:
BORON
S   7
  1      0.491006E+04           0.719963E-03     
  2      0.736668E+03           0.555998E-02     
  3      0.167722E+03           0.283969E-01     
  4      0.474653E+02           0.107966E+00     
  5      0.152998E+02           0.295582E+00     
  6      0.535059E+01           0.500000E+00     
  7      0.191018E+01           0.356938E+00     
S   2
  1      0.336487E+01          -0.927184E-01     
  2      0.351154E+00           0.500000E+00     
S   1
  1      0.147529E+00           1.0000000        
S   1
  1      0.631265E-01           1.0000000        
P   4
  1      0.219892E+02           0.807954E-02     
  2      0.493853E+01           0.573813E-01     
  3      0.141047E+01           0.215067E+00     
  4      0.480433E+00           0.500000E+00     
P   1
  1      0.165050E+00           1.0000000        
P   1
  1      0.542186E-01           1.0000000        
D   1
  1      0.105000E+01           1.0000000        
D   1
  1      0.350000E+00           1.0000000        
F   1
  1      0.870000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: C
data:
CARBON
S   7
  1      0.731999E+04           0.695369E-03     
  2      0.109818E+04           0.537138E-02     
  3      0.250014E+03           0.274734E-01     
  4      0.707586E+02           0.105078E+00     
  5      0.228595E+02           0.291262E+00     
  6      0.803936E+01           0.500000E+00     
  7      0.289309E+01           0.362224E+00     
S   2
  1      0.521640E+01          -0.957844E-01     
  2      0.556124E+00           0.500000E+00     
S   1
  1      0.228813E+00           1.0000000        
S   1
  1      0.936338E-01           1.0000000        
P   4
  1      0.339855E+02           0.818395E-02     
  2      0.772957E+01           0.586921E-01     
  3      0.224954E+01           0.222514E+00     
  4      0.767681E+00           0.500000E+00     
P   1
  1      0.263283E+00           1.0000000        
P   1
  1      0.848744E-01           1.0000000        
D   1
  1      0.140000E+01           1.0000000        
D   1
  1      0.450000E+00           1.0000000        
F   1
  1      0.950000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: N
data:
NITROGEN
S   7
  1      0.101643E+05           0.682757E-03     
  2      0.152481E+04           0.527488E-02     
  3      0.347119E+03           0.270037E-01     
  4      0.982389E+02           0.103673E+00     
  5      0.317799E+02           0.289575E+00     
  6      0.112240E+02           0.500000E+00     
  7      0.406611E+01           0.364621E+00     
S   2
  1      0.747898E+01          -0.975681E-01     
  2      0.805040E+00           0.500000E+00     
S   1
  1      0.324626E+00           1.0000000        
S   1
  1      0.128132E+00           1.0000000        
P   4
  1      0.482704E+02           0.829547E-02     
  2      0.110815E+02           0.596223E-01     
  3      0.326643E+01           0.227889E+00     
  4      0.111680E+01           0.500000E+00     
P   1
  1      0.382049E+00           1.0000000        
P   1
  1      0.121222E+00           1.0000000        
D   1
  1      0.180000E+01           1.0000000        
D   1
  1      0.550000E+00           1.0000000        
F   1
  1      0.102000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: O
data:
OXYGEN
S   7
  1      0.135887E+05           0.665492E-03     
  2      0.203847E+04           0.514222E-02     
  3      0.464041E+03           0.263472E-01     
  4      0.131339E+03           0.101500E+00     
  5      0.425340E+02           0.285877E+00     
  6      0.150429E+02           0.500000E+00     
  7      0.546616E+01           0.368211E+00     
S   2
  1      0.100915E+02          -0.100084E+00     
  2      0.110429E+01           0.500000E+00     
S   1
  1      0.448082E+00           1.0000000        
S   1
  1      0.175325E+00           1.0000000        
P   4
  1      0.608220E+02           0.908253E-02     
  2      0.140332E+02           0.645878E-01     
  3      0.418244E+01           0.241502E+00     
  4      0.142490E+01           0.500000E+00     
P   1
  1      0.478741E+00           1.0000000        
P   1
  1      0.146257E+00           1.0000000        
D   1
  1      0.220000E+01           1.0000000        
D   1
  1      0.650000E+00           1.0000000        
F   1
  1      0.110000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: F
data:
FLUORINE
S   7
  1      0.174507E+05           0.655972E-03     
  2      0.261768E+04           0.506944E-02     
  3      0.595857E+03           0.259899E-01     
  4      0.168651E+03           0.100353E+00     
  5      0.546654E+02           0.284095E+00     
  6      0.193717E+02           0.500000E+00     
  7      0.706202E+01           0.370721E+00     
S   2
  1      0.131197E+02          -0.101997E+00     
  2      0.145046E+01           0.500000E+00     
S   1
  1      0.588255E+00           1.0000000        
S   1
  1      0.227960E+00           1.0000000        
P   4
  1      0.779407E+02           0.931135E-02     
  2      0.180425E+02           0.663964E-01     
  3      0.542342E+01           0.246386E+00     
  4      0.184876E+01           0.500000E+00     
P   1
  1      0.617455E+00           1.0000000        
P   1
  1      0.185496E+00           1.0000000        
D   1
  1      0.280000E+01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
F   1
  1      0.120000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ne
data:
NEON
S   7
  1      0.217224E+05           0.651348E-03     
  2      0.325842E+04           0.503391E-02     
  3      0.741722E+03           0.258151E-01     
  4      0.209944E+03           0.998321E-01     
  5      0.680916E+02           0.283541E+00     
  6      0.241760E+02           0.500000E+00     
  7      0.884214E+01           0.371672E+00     
S   2
  1      0.165667E+02          -0.102833E+00     
  2      0.183862E+01           0.500000E+00     
S   1
  1      0.740431E+00           1.0000000        
S   1
  1      0.283937E+00           1.0000000        
P   4
  1      0.973358E+02           0.945185E-02     
  2      0.226052E+02           0.674728E-01     
  3      0.683524E+01           0.249630E+00     
  4      0.233071E+01           0.500000E+00     
P   1
  1      0.775470E+00           1.0000000        
P   1
  1      0.230572E+00           1.0000000        
D   1
  1      0.300000E+01           1.0000000        
D   1
  1      0.850000E+00           1.0000000        
F   1
  1      0.130000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Na
data:
SODIUM
S   8
  1      0.570255E+05           0.257591E-03     
  2      0.854710E+04           0.199792E-02     
  3      0.194516E+04           0.103946E-01     
  4      0.550737E+03           0.422553E-01     
  5      0.179362E+03           0.137082E+00     
  6      0.643703E+02           0.329261E+00     
  7      0.247211E+02           0.500000E+00     
  8      0.962704E+01           0.312399E+00     
S   3
  1      0.547955E+02          -0.274204E-01     
  2      0.162859E+02          -0.124741E+00     
  3      0.249115E+01           0.500000E+00     
S   2
  1      0.102140E+01           0.500000E+00     
  2      0.414410E+00           0.217447E+00     
S   1
  1      0.626192E-01           1.0000000        
S   1
  1      0.223001E-01           1.0000000        
P   7
  1      0.230133E+03           0.336899E-02     
  2      0.541082E+02           0.261720E-01     
  3      0.173774E+02           0.110467E+00     
  4      0.630965E+01           0.307494E+00     
  5      0.240664E+01           0.505540E+00     
  6      0.901852E+00           0.500000E+00     
  7      0.314401E+00           0.218440E+00     
P   1
  1      0.121000E+00           1.0000000        
P   1
  1      0.390000E-01           1.0000000        
D   1
  1      0.240000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Mg
data:
MAGNESIUM
S   8
  1      0.696037E+05           0.249938E-03     
  2      0.104340E+05           0.193826E-02     
  3      0.237475E+04           0.100873E-01     
  4      0.672334E+03           0.410647E-01     
  5      0.218958E+03           0.133776E+00     
  6      0.786250E+02           0.323983E+00     
  7      0.302141E+02           0.500000E+00     
  8      0.117909E+02           0.321048E+00     
S   3
  1      0.650711E+02          -0.303312E-01     
  2      0.194626E+02          -0.136074E+00     
  3      0.312938E+01           0.500000E+00     
S   2
  1      0.137154E+01           0.500000E+00     
  2      0.593539E+00           0.251494E+00     
S   1
  1      0.115034E+00           1.0000000        
S   1
  1      0.403001E-01           1.0000000        
P   7
  1      0.308909E+03           0.287113E-02     
  2      0.728662E+02           0.225671E-01     
  3      0.234913E+02           0.986025E-01     
  4      0.856264E+01           0.285692E+00     
  5      0.330686E+01           0.494702E+00     
  6      0.126930E+01           0.500000E+00     
  7      0.461127E+00           0.204239E+00     
P   1
  1      0.177000E+00           1.0000000        
P   1
  1      0.570000E-01           1.0000000        
D   1
  1      0.300000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Al
data:
ALUMINUM
S   8
  1      0.839008E+05           0.242171E-03     
  2      0.125769E+05           0.187813E-02     
  3      0.286262E+04           0.977638E-02     
  4      0.810575E+03           0.398378E-01     
  5      0.264080E+03           0.130219E+00     
  6      0.949196E+02           0.318122E+00     
  7      0.364975E+02           0.500000E+00     
  8      0.142821E+02           0.331616E+00     
S   3
  1      0.760827E+02          -0.355982E-01     
  2      0.228710E+02          -0.157455E+00     
  3      0.392618E+01           0.500000E+00     
S   2
  1      0.185485E+01           0.500000E+00     
  2      0.827583E+00           0.302771E+00     
S   1
  1      0.180478E+00           1.0000000        
S   1
  1      0.638999E-01           1.0000000        
P   7
  1      0.576213E+03           0.132187E-02     
  2      0.136705E+03           0.108113E-01     
  3      0.437989E+02           0.539925E-01     
  4      0.160383E+02           0.176991E+00     
  5      0.643523E+01           0.377687E+00     
  6      0.264221E+01           0.500000E+00     
  7      0.106841E+01           0.352071E+00     
P   2
  1      0.458274E+01          -0.162529E-01     
  2      0.390489E+00           0.500000E+00     
P   1
  1      0.133161E+00           1.0000000        
P   1
  1      0.418671E-01           1.0000000        
D   1
  1      0.147000E+01           1.0000000        
D   1
  1      0.330000E+00           1.0000000        
F   1
  1      0.480000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Si
data:
SILICON
S   8
  1      0.996133E+05           0.235546E-03     
  2      0.149311E+05           0.182707E-02     
  3      0.339820E+04           0.951425E-02     
  4      0.962140E+03           0.388172E-01     
  5      0.313430E+03           0.127328E+00     
  6      0.112683E+03           0.313522E+00     
  7      0.433372E+02           0.500000E+00     
  8      0.170029E+02           0.340347E+00     
S   3
  1      0.884208E+02          -0.404451E-01     
  2      0.266756E+02          -0.178059E+00     
  3      0.479640E+01           0.500000E+00     
S   2
  1      0.239385E+01           0.500000E+00     
  2      0.108333E+01           0.338016E+00     
S   1
  1      0.252420E+00           1.0000000        
S   1
  1      0.891210E-01           1.0000000        
P   7
  1      0.709901E+03           0.123028E-02     
  2      0.168426E+03           0.101366E-01     
  3      0.539946E+02           0.511840E-01     
  4      0.198646E+02           0.169967E+00     
  5      0.801369E+01           0.370717E+00     
  6      0.331870E+01           0.500000E+00     
  7      0.136112E+01           0.344128E+00     
P   2
  1      0.622158E+01          -0.166609E-01     
  2      0.503049E+00           0.500000E+00     
P   1
  1      0.179848E+00           1.0000000        
P   1
  1      0.591912E-01           1.0000000        
D   1
  1      0.168000E+01           1.0000000        
D   1
  1      0.380000E+00           1.0000000        
F   1
  1      0.540000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: P
data:
PHOSPHORUS
S   8
  1      0.116416E+06           0.230715E-03     
  2      0.174500E+05           0.178960E-02     
  3      0.397149E+04           0.932116E-02     
  4      0.112447E+04           0.380591E-01     
  5      0.366347E+03           0.125148E+00     
  6      0.131757E+03           0.310022E+00     
  7      0.506988E+02           0.500000E+00     
  8      0.199436E+02           0.347528E+00     
S   3
  1      0.101878E+03          -0.446755E-01     
  2      0.308249E+02          -0.196376E+00     
  3      0.573688E+01           0.500000E+00     
S   2
  1      0.296868E+01           0.500000E+00     
  2      0.135315E+01           0.355098E+00     
S   1
  1      0.332196E+00           1.0000000        
S   1
  1      0.116229E+00           1.0000000        
P   7
  1      0.873928E+03           0.112375E-02     
  2      0.207298E+03           0.933330E-02     
  3      0.664628E+02           0.477213E-01     
  4      0.245665E+02           0.160733E+00     
  5      0.996820E+01           0.359760E+00     
  6      0.416536E+01           0.500000E+00     
  7      0.173022E+01           0.346593E+00     
P   2
  1      0.772530E+01          -0.175718E-01     
  2      0.657252E+00           0.500000E+00     
P   1
  1      0.239903E+00           1.0000000        
P   1
  1      0.800988E-01           1.0000000        
D   1
  1      0.189000E+01           1.0000000        
D   1
  1      0.430000E+00           1.0000000        
F   1
  1      0.600000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: S
data:
SULFUR
S   8
  1      0.134700E+06           0.226231E-03     
  2      0.201904E+05           0.175488E-02     
  3      0.459528E+04           0.914190E-02     
  4      0.130109E+04           0.373551E-01     
  5      0.423902E+03           0.123121E+00     
  6      0.152485E+03           0.306801E+00     
  7      0.586925E+02           0.500000E+00     
  8      0.231461E+02           0.354358E+00     
S   3
  1      0.116327E+03          -0.491772E-01     
  2      0.352841E+02          -0.215962E+00     
  3      0.677831E+01           0.500000E+00     
S   2
  1      0.360404E+01           0.500000E+00     
  2      0.164871E+01           0.366278E+00     
S   1
  1      0.421821E+00           1.0000000        
S   1
  1      0.147554E+00           1.0000000        
P   7
  1      0.104863E+04           0.105273E-02     
  2      0.248717E+03           0.879338E-02     
  3      0.797887E+02           0.453358E-01     
  4      0.296023E+02           0.154476E+00     
  5      0.120627E+02           0.352366E+00     
  6      0.507628E+01           0.500000E+00     
  7      0.213375E+01           0.346429E+00     
P   2
  1      0.928958E+01          -0.185932E-01     
  2      0.837819E+00           0.500000E+00     
P   1
  1      0.301495E+00           1.0000000        
P   1
  1      0.974740E-01           1.0000000        
D   1
  1      0.210000E+01           1.0000000        
D   1
  1      0.480000E+00           1.0000000        
F   1
  1      0.660000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Cl
data:
CHLORINE
S   8
  1      0.154272E+06           0.222473E-03     
  2      0.231232E+05           0.172590E-02     
  3      0.526257E+04           0.899286E-02     
  4      0.148995E+04           0.367724E-01     
  5      0.485417E+03           0.121446E+00     
  6      0.174634E+03           0.304148E+00     
  7      0.672393E+02           0.500000E+00     
  8      0.265780E+02           0.360252E+00     
S   3
  1      0.131826E+03          -0.531330E-01     
  2      0.400703E+02          -0.233346E+00     
  3      0.789448E+01           0.500000E+00     
S   2
  1      0.427711E+01           0.500000E+00     
  2      0.196233E+01           0.370517E+00     
S   1
  1      0.520793E+00           1.0000000        
S   1
  1      0.181633E+00           1.0000000        
P   7
  1      0.124440E+04           0.988206E-03     
  2      0.295109E+03           0.829674E-02     
  3      0.947224E+02           0.430906E-01     
  4      0.352588E+02           0.148443E+00     
  5      0.144211E+02           0.344744E+00     
  6      0.610371E+01           0.500000E+00     
  7      0.258886E+01           0.348278E+00     
P   2
  1      0.109447E+02          -0.196768E-01     
  2      0.104413E+01           0.500000E+00     
P   1
  1      0.376184E+00           1.0000000        
P   1
  1      0.120613E+00           1.0000000        
D   1
  1      0.231000E+01           1.0000000        
D   1
  1      0.520000E+00           1.0000000        
F   1
  1      0.720000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ar
data:
ARGON
S   8
  1      0.175137E+06           0.219259E-03     
  2      0.262511E+05           0.170097E-02     
  3      0.597452E+04           0.886404E-02     
  4      0.169157E+04           0.362630E-01     
  5      0.551142E+03           0.119964E+00     
  6      0.198307E+03           0.301800E+00     
  7      0.763750E+02           0.500000E+00     
  8      0.302538E+02           0.365614E+00     
S   3
  1      0.148283E+03          -0.568620E-01     
  2      0.451591E+02          -0.249693E+00     
  3      0.910015E+01           0.500000E+00     
S   2
  1      0.499086E+01           0.500000E+00     
  2      0.229346E+01           0.369638E+00     
S   1
  1      0.628631E+00           1.0000000        
S   1
  1      0.218001E+00           1.0000000        
P   7
  1      0.145363E+04           0.938521E-03     
  2      0.344725E+03           0.790992E-02     
  3      0.110728E+03           0.413060E-01     
  4      0.413308E+02           0.143629E+00     
  5      0.169589E+02           0.338309E+00     
  6      0.721074E+01           0.500000E+00     
  7      0.307788E+01           0.349376E+00     
P   2
  1      0.127445E+02          -0.204792E-01     
  2      0.126589E+01           0.500000E+00     
P   1
  1      0.457325E+00           1.0000000        
P   1
  1      0.146322E+00           1.0000000        
D   1
  1      0.252000E+01           1.0000000        
D   1
  1      0.570000E+00           1.0000000        
F   1
  1      0.780000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: K
data:
POTASSIUM
S   10
  1      0.644867E+06           0.581413E-04     
  2      0.966213E+05           0.451700E-03     
  3      0.219928E+05           0.236957E-02     
  4      0.622966E+04           0.992121E-02     
  5      0.203222E+04           0.351840E-01     
  6      0.733520E+03           0.106509E+00     
  7      0.286219E+03           0.262413E+00     
  8      0.116889E+03           0.488396E+00     
  9      0.494284E+02           0.500000E+00     
 10      0.213657E+02           0.174582E+00     
S   4
  1      0.178609E+03          -0.202773E-01     
  2      0.538372E+02          -0.989686E-01     
  3      0.787012E+01           0.500000E+00     
  4      0.312173E+01           0.501996E+00     
S   2
  1      0.476697E+01          -0.140008E+00     
  2      0.707985E+00           0.500000E+00     
S   1
  1      0.278690E+00           1.0000000        
S   1
  1      0.473858E-01           1.0000000        
S   1
  1      0.187717E-01           1.0000000        
P   8
  1      0.216505E+04           0.667716E-03     
  2      0.512883E+03           0.574192E-02     
  3      0.164970E+03           0.307875E-01     
  4      0.626593E+02           0.111673E+00     
  5      0.260790E+02           0.294532E+00     
  6      0.113621E+02           0.507640E+00     
  7      0.510959E+01           0.500000E+00     
  8      0.224049E+01           0.197319E+00     
P   4
  1      0.135242E+02          -0.150961E-01     
  2      0.176313E+01           0.239761E+00     
  3      0.799503E+00           0.500000E+00     
  4      0.349973E+00           0.449647E+00     
P   1
  1      0.143463E+00           1.0000000        
P   1
  1      0.404000E-01           1.0000000        
D   3
  1      0.103178E+02           0.547646E-01     
  2      0.268886E+01           0.236314E+00     
  3      0.829610E+00           0.500000E+00     
D   1
  1      0.238395E+00           1.0000000        
D   1
  1      0.622820E-01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ca
data:
CALCIUM
S   10
  1      0.720395E+06           0.575164E-04     
  2      0.107938E+06           0.446824E-03     
  3      0.245703E+05           0.234380E-02     
  4      0.696031E+04           0.981319E-02     
  5      0.227077E+04           0.348089E-01     
  6      0.819657E+03           0.105484E+00     
  7      0.319823E+03           0.260558E+00     
  8      0.130583E+03           0.486476E+00     
  9      0.553052E+02           0.500000E+00     
 10      0.239765E+02           0.177349E+00     
S   4
  1      0.197312E+03          -0.208439E-01     
  2      0.596728E+02          -0.100875E+00     
  3      0.890338E+01           0.500000E+00     
  4      0.358443E+01           0.508309E+00     
S   2
  1      0.544530E+01          -0.144098E+00     
  2      0.846321E+00           0.500000E+00     
S   1
  1      0.354132E+00           1.0000000        
S   1
  1      0.779382E-01           1.0000000        
S   1
  1      0.300109E-01           1.0000000        
P   8
  1      0.250573E+04           0.624240E-03     
  2      0.593538E+03           0.538210E-02     
  3      0.191110E+03           0.289490E-01     
  4      0.727089E+02           0.106090E+00     
  5      0.303004E+02           0.283963E+00     
  6      0.132416E+02           0.497946E+00     
  7      0.598823E+01           0.500000E+00     
  8      0.264558E+01           0.202389E+00     
P   4
  1      0.153883E+02          -0.164739E-01     
  2      0.208144E+01           0.247930E+00     
  3      0.978121E+00           0.500000E+00     
  4      0.448888E+00           0.442743E+00     
P   1
  1      0.192527E+00           1.0000000        
P   1
  1      0.541000E-01           1.0000000        
D   3
  1      0.132089E+02           0.502008E-01     
  2      0.350108E+01           0.226143E+00     
  3      0.110007E+01           0.500000E+00     
D   1
  1      0.327669E+00           1.0000000        
D   1
  1      0.878047E-01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Sc
data:
SCANDIUM
S   10
  1      0.799406E+06           0.570135E-04     
  2      0.119776E+06           0.442929E-03     
  3      0.272655E+05           0.232333E-02     
  4      0.772387E+04           0.972857E-02     
  5      0.251967E+04           0.345244E-01     
  6      0.909366E+03           0.104727E+00     
  7      0.354780E+03           0.259193E+00     
  8      0.144828E+03           0.485144E+00     
  9      0.613865E+02           0.500000E+00     
 10      0.266622E+02           0.178628E+00     
S   4
  1      0.217851E+03          -0.210965E-01     
  2      0.660220E+02          -0.101874E+00     
  3      0.996657E+01           0.500000E+00     
  4      0.405209E+01           0.506081E+00     
S   2
  1      0.621156E+01          -0.147507E+00     
  2      0.980079E+00           0.500000E+00     
S   1
  1      0.410850E+00           1.0000000        
S   1
  1      0.913215E-01           1.0000000        
S   1
  1      0.340733E-01           1.0000000        
P   8
  1      0.284819E+04           0.599355E-03     
  2      0.674674E+03           0.517641E-02     
  3      0.217413E+03           0.279064E-01     
  4      0.828002E+02           0.103074E+00     
  5      0.345384E+02           0.278674E+00     
  6      0.151256E+02           0.494120E+00     
  7      0.686359E+01           0.500000E+00     
  8      0.304644E+01           0.202762E+00     
P   4
  1      0.174124E+02          -0.171062E-01     
  2      0.240994E+01           0.253298E+00     
  3      0.113463E+01           0.500000E+00     
  4      0.523074E+00           0.431211E+00     
P   1
  1      0.225879E+00           1.0000000        
P   1
  1      0.640000E-01           1.0000000        
D   6
  1      0.765007E+02           0.296453E-02     
  2      0.226497E+02           0.215006E-01     
  3      0.830279E+01           0.888353E-01     
  4      0.322503E+01           0.242312E+00     
  5      0.133688E+01           0.415304E+00     
  6      0.541237E+00           0.500000E+00     
D   1
  1      0.204900E+00           1.0000000        
D   1
  1      0.696367E-01           1.0000000        
F   1
  1      0.220600E+01           1.0000000        
F   1
  1      0.490000E+00           1.0000000        
G   1
  1      0.111800E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ti
data:
TITANIUM
S   10
  1      0.881322E+06           0.566841E-04     
  2      0.132045E+06           0.440379E-03     
  3      0.300580E+05           0.231008E-02     
  4      0.851451E+04           0.967443E-02     
  5      0.277754E+04           0.343380E-01     
  6      0.100247E+04           0.104214E+00     
  7      0.391166E+03           0.258207E+00     
  8      0.159704E+03           0.484155E+00     
  9      0.677547E+02           0.500000E+00     
 10      0.294822E+02           0.179676E+00     
S   4
  1      0.239523E+03          -0.213026E-01     
  2      0.727201E+02          -0.102735E+00     
  3      0.110898E+02           0.500000E+00     
  4      0.454569E+01           0.503860E+00     
S   2
  1      0.702224E+01          -0.149836E+00     
  2      0.112078E+01           0.500000E+00     
S   1
  1      0.470298E+00           1.0000000        
S   1
  1      0.103568E+00           1.0000000        
S   1
  1      0.379615E-01           1.0000000        
P   8
  1      0.320389E+04           0.581565E-03     
  2      0.758987E+03           0.502920E-02     
  3      0.244740E+03           0.271691E-01     
  4      0.932732E+02           0.101003E+00     
  5      0.389438E+02           0.275151E+00     
  6      0.170882E+02           0.491986E+00     
  7      0.777728E+01           0.500000E+00     
  8      0.346621E+01           0.202514E+00     
P   4
  1      0.195703E+02          -0.175817E-01     
  2      0.275468E+01           0.258395E+00     
  3      0.129439E+01           0.500000E+00     
  4      0.597849E+00           0.420555E+00     
P   1
  1      0.259198E+00           1.0000000        
P   1
  1      0.740000E-01           1.0000000        
D   6
  1      0.870556E+02           0.317276E-02     
  2      0.257984E+02           0.232651E-01     
  3      0.952023E+01           0.955475E-01     
  4      0.373742E+01           0.259226E+00     
  5      0.155867E+01           0.434112E+00     
  6      0.635491E+00           0.500000E+00     
D   1
  1      0.245564E+00           1.0000000        
D   1
  1      0.858965E-01           1.0000000        
F   1
  1      0.242600E+01           1.0000000        
F   1
  1      0.539000E+00           1.0000000        
G   1
  1      0.122900E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: V
data:
VANADIUM
S   10
  1      0.967841E+06           0.563248E-04     
  2      0.145004E+06           0.437598E-03     
  3      0.330081E+05           0.229549E-02     
  4      0.935001E+04           0.961437E-02     
  5      0.304997E+04           0.341333E-01     
  6      0.110075E+04           0.103661E+00     
  7      0.429510E+03           0.257185E+00     
  8      0.175347E+03           0.483177E+00     
  9      0.744357E+02           0.500000E+00     
 10      0.324359E+02           0.180468E+00     
S   4
  1      0.262409E+03          -0.214508E-01     
  2      0.797883E+02          -0.103421E+00     
  3      0.122687E+02           0.500000E+00     
  4      0.506274E+01           0.500969E+00     
S   2
  1      0.788269E+01          -0.151938E+00     
  2      0.126725E+01           0.500000E+00     
S   1
  1      0.529910E+00           1.0000000        
S   1
  1      0.114975E+00           1.0000000        
S   1
  1      0.412561E-01           1.0000000        
P   8
  1      0.358102E+04           0.565757E-03     
  2      0.848292E+03           0.489889E-02     
  3      0.273688E+03           0.265140E-01     
  4      0.104363E+03           0.991575E-01     
  5      0.436075E+02           0.271987E+00     
  6      0.191676E+02           0.489957E+00     
  7      0.874351E+01           0.500000E+00     
  8      0.390871E+01           0.202051E+00     
P   4
  1      0.218289E+02          -0.180360E-01     
  2      0.312794E+01           0.261197E+00     
  3      0.146827E+01           0.500000E+00     
  4      0.677511E+00           0.416808E+00     
P   1
  1      0.293525E+00           1.0000000        
P   1
  1      0.840000E-01           1.0000000        
D   6
  1      0.101232E+03           0.312157E-02     
  2      0.300289E+02           0.233383E-01     
  3      0.111079E+02           0.973155E-01     
  4      0.439511E+01           0.263664E+00     
  5      0.184617E+01           0.439787E+00     
  6      0.757898E+00           0.500000E+00     
D   1
  1      0.294371E+00           1.0000000        
D   1
  1      0.102984E+00           1.0000000        
F   1
  1      0.266900E+01           1.0000000        
F   1
  1      0.593000E+00           1.0000000        
G   1
  1      0.135200E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Cr
data:
CHROMIUM
S   10
  1      0.105726E+07           0.560980E-04     
  2      0.158400E+06           0.435853E-03     
  3      0.360545E+05           0.228671E-02     
  4      0.102120E+05           0.957928E-02     
  5      0.333073E+04           0.340199E-01     
  6      0.120199E+04           0.103357E+00     
  7      0.469092E+03           0.256563E+00     
  8      0.191557E+03           0.482556E+00     
  9      0.813769E+02           0.500000E+00     
 10      0.355118E+02           0.180991E+00     
S   4
  1      0.286443E+03          -0.215692E-01     
  2      0.872104E+02          -0.104016E+00     
  3      0.135063E+02           0.500000E+00     
  4      0.560535E+01           0.498145E+00     
S   2
  1      0.878991E+01          -0.153695E+00     
  2      0.142072E+01           0.500000E+00     
S   1
  1      0.591660E+00           1.0000000        
S   1
  1      0.126372E+00           1.0000000        
S   1
  1      0.444357E-01           1.0000000        
P   8
  1      0.397317E+04           0.553435E-03     
  2      0.941238E+03           0.479650E-02     
  3      0.303848E+03           0.259971E-01     
  4      0.115929E+03           0.977018E-01     
  5      0.484844E+02           0.269444E+00     
  6      0.213499E+02           0.488296E+00     
  7      0.975953E+01           0.500000E+00     
  8      0.437471E+01           0.201543E+00     
P   4
  1      0.241931E+02          -0.184906E-01     
  2      0.352725E+01           0.263185E+00     
  3      0.165617E+01           0.500000E+00     
  4      0.764191E+00           0.416508E+00     
P   1
  1      0.330772E+00           1.0000000        
P   1
  1      0.930000E-01           1.0000000        
D   6
  1      0.114289E+03           0.317328E-02     
  2      0.339278E+02           0.239943E-01     
  3      0.125902E+02           0.100415E+00     
  4      0.501718E+01           0.270478E+00     
  5      0.211639E+01           0.446297E+00     
  6      0.871255E+00           0.500000E+00     
D   1
  1      0.338209E+00           1.0000000        
D   1
  1      0.117487E+00           1.0000000        
F   1
  1      0.293600E+01           1.0000000        
F   1
  1      0.652000E+00           1.0000000        
G   1
  1      0.148800E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Mn
data:
MANGANESE
S   10
  1      0.115018E+07           0.559207E-04     
  2      0.172325E+06           0.434470E-03     
  3      0.392240E+05           0.227946E-02     
  4      0.111098E+05           0.954893E-02     
  5      0.362369E+04           0.339148E-01     
  6      0.130769E+04           0.103091E+00     
  7      0.510307E+03           0.256150E+00     
  8      0.208359E+03           0.482375E+00     
  9      0.885419E+02           0.500000E+00     
 10      0.386850E+02           0.180982E+00     
S   4
  1      0.311658E+03          -0.216548E-01     
  2      0.949940E+02          -0.104503E+00     
  3      0.148006E+02           0.500000E+00     
  4      0.617225E+01           0.495149E+00     
S   2
  1      0.974433E+01          -0.155007E+00     
  2      0.158024E+01           0.500000E+00     
S   1
  1      0.654789E+00           1.0000000        
S   1
  1      0.136937E+00           1.0000000        
S   1
  1      0.473109E-01           1.0000000        
P   8
  1      0.439140E+04           0.541101E-03     
  2      0.104032E+04           0.469413E-02     
  3      0.335950E+03           0.254887E-01     
  4      0.128203E+03           0.962905E-01     
  5      0.536454E+02           0.267003E+00     
  6      0.236580E+02           0.486571E+00     
  7      0.108336E+02           0.500000E+00     
  8      0.486679E+01           0.201168E+00     
P   4
  1      0.266735E+02          -0.189516E-01     
  2      0.395275E+01           0.264587E+00     
  3      0.185875E+01           0.500000E+00     
  4      0.858583E+00           0.419292E+00     
P   1
  1      0.371174E+00           1.0000000        
P   1
  1      0.104000E+00           1.0000000        
D   6
  1      0.128837E+03           0.317729E-02     
  2      0.382797E+02           0.242919E-01     
  3      0.142498E+02           0.102147E+00     
  4      0.571587E+01           0.274670E+00     
  5      0.242249E+01           0.450782E+00     
  6      0.100149E+01           0.500000E+00     
D   1
  1      0.390690E+00           1.0000000        
D   1
  1      0.136262E+00           1.0000000        
F   1
  1      0.323000E+01           1.0000000        
F   1
  1      0.718000E+00           1.0000000        
G   1
  1      0.163600E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Fe
data:
IRON
S   10
  1      0.124866E+07           0.556470E-04     
  2      0.187039E+06           0.432457E-03     
  3      0.425683E+05           0.226917E-02     
  4      0.120562E+05           0.950693E-02     
  5      0.393233E+04           0.337679E-01     
  6      0.141914E+04           0.102683E+00     
  7      0.553832E+03           0.255373E+00     
  8      0.226129E+03           0.481641E+00     
  9      0.961317E+02           0.500000E+00     
 10      0.420443E+02           0.181434E+00     
S   4
  1      0.337941E+03          -0.217335E-01     
  2      0.103114E+03          -0.104953E+00     
  3      0.161551E+02           0.500000E+00     
  4      0.676652E+01           0.492509E+00     
S   2
  1      0.107404E+02          -0.156319E+00     
  2      0.174932E+01           0.500000E+00     
S   1
  1      0.723737E+00           1.0000000        
S   1
  1      0.147147E+00           1.0000000        
S   1
  1      0.503270E-01           1.0000000        
P   8
  1      0.483551E+04           0.528807E-03     
  2      0.114553E+04           0.459172E-02     
  3      0.370070E+03           0.249702E-01     
  4      0.141266E+03           0.947891E-01     
  5      0.591370E+02           0.264344E+00     
  6      0.261088E+02           0.484617E+00     
  7      0.119731E+02           0.500000E+00     
  8      0.538806E+01           0.201124E+00     
P   4
  1      0.293038E+02          -0.192403E-01     
  2      0.439039E+01           0.266421E+00     
  3      0.206040E+01           0.500000E+00     
  4      0.952685E+00           0.415150E+00     
P   1
  1      0.412454E+00           1.0000000        
P   1
  1      0.115000E+00           1.0000000        
D   6
  1      0.138418E+03           0.345330E-02     
  2      0.411431E+02           0.263915E-01     
  3      0.153511E+02           0.109884E+00     
  4      0.618032E+01           0.290275E+00     
  5      0.261339E+01           0.463287E+00     
  6      0.107371E+01           0.500000E+00     
D   1
  1      0.413063E+00           1.0000000        
D   1
  1      0.140918E+00           1.0000000        
F   1
  1      0.355300E+01           1.0000000        
F   1
  1      0.789000E+00           1.0000000        
G   1
  1      0.180000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Co
data:
COBALT
S   10
  1      0.135034E+07           0.554029E-04     
  2      0.202328E+06           0.430403E-03     
  3      0.460566E+05           0.225792E-02     
  4      0.130467E+05           0.945738E-02     
  5      0.425628E+04           0.335887E-01     
  6      0.153630E+04           0.102168E+00     
  7      0.599631E+03           0.254357E+00     
  8      0.244815E+03           0.480628E+00     
  9      0.104104E+03           0.500000E+00     
 10      0.455673E+02           0.182026E+00     
S   4
  1      0.365374E+03          -0.217931E-01     
  2      0.111588E+03          -0.105338E+00     
  3      0.175673E+02           0.500000E+00     
  4      0.738565E+01           0.489865E+00     
S   2
  1      0.117836E+02          -0.157480E+00     
  2      0.192539E+01           0.500000E+00     
S   1
  1      0.794368E+00           1.0000000        
S   1
  1      0.156782E+00           1.0000000        
S   1
  1      0.529934E-01           1.0000000        
P   8
  1      0.527281E+04           0.524213E-03     
  2      0.124910E+04           0.455457E-02     
  3      0.403649E+03           0.247960E-01     
  4      0.154114E+03           0.944291E-01     
  5      0.645609E+02           0.264055E+00     
  6      0.285430E+02           0.485191E+00     
  7      0.131137E+02           0.500000E+00     
  8      0.591573E+01           0.200096E+00     
P   4
  1      0.320557E+02          -0.194450E-01     
  2      0.484854E+01           0.267567E+00     
  3      0.226800E+01           0.500000E+00     
  4      0.104658E+01           0.411051E+00     
P   1
  1      0.452824E+00           1.0000000        
P   1
  1      0.127000E+00           1.0000000        
D   6
  1      0.153053E+03           0.349174E-02     
  2      0.455196E+02           0.269024E-01     
  3      0.170055E+02           0.112613E+00     
  4      0.687149E+01           0.295757E+00     
  5      0.291149E+01           0.467814E+00     
  6      0.119738E+01           0.500000E+00     
D   1
  1      0.460362E+00           1.0000000        
D   1
  1      0.156851E+00           1.0000000        
F   1
  1      0.390800E+01           1.0000000        
F   1
  1      0.868000E+00           1.0000000        
G   1
  1      0.198000E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ni
data:
NICKEL
S   10
  1      0.146257E+07           0.548342E-04     
  2      0.219107E+06           0.426081E-03     
  3      0.498724E+05           0.223546E-02     
  4      0.141259E+05           0.936615E-02     
  5      0.460735E+04           0.332852E-01     
  6      0.166244E+04           0.101365E+00     
  7      0.648606E+03           0.252855E+00     
  8      0.264689E+03           0.479041E+00     
  9      0.112561E+03           0.500000E+00     
 10      0.492916E+02           0.183007E+00     
S   4
  1      0.393899E+03          -0.218494E-01     
  2      0.120405E+03          -0.105702E+00     
  3      0.190399E+02           0.500000E+00     
  4      0.803151E+01           0.487556E+00     
S   2
  1      0.128736E+02          -0.158461E+00     
  2      0.210873E+01           0.500000E+00     
S   1
  1      0.867388E+00           1.0000000        
S   1
  1      0.166834E+00           1.0000000        
S   1
  1      0.557165E-01           1.0000000        
P   8
  1      0.574804E+04           0.515949E-03     
  2      0.136168E+04           0.448607E-02     
  3      0.440134E+03           0.244558E-01     
  4      0.168074E+03           0.934792E-01     
  5      0.704369E+02           0.262488E+00     
  6      0.311704E+02           0.484289E+00     
  7      0.143366E+02           0.500000E+00     
  8      0.647618E+01           0.199575E+00     
P   4
  1      0.349196E+02          -0.196357E-01     
  2      0.533044E+01           0.268238E+00     
  3      0.248674E+01           0.500000E+00     
  4      0.114423E+01           0.408392E+00     
P   1
  1      0.494088E+00           1.0000000        
P   1
  1      0.139000E+00           1.0000000        
D   6
  1      0.167506E+03           0.355811E-02     
  2      0.498486E+02           0.275655E-01     
  3      0.186562E+02           0.115521E+00     
  4      0.756638E+01           0.301390E+00     
  5      0.321070E+01           0.472193E+00     
  6      0.132072E+01           0.500000E+00     
D   1
  1      0.506898E+00           1.0000000        
D   1
  1      0.171943E+00           1.0000000        
F   1
  1      0.429900E+01           1.0000000        
F   1
  1      0.955000E+00           1.0000000        
G   1
  1      0.217800E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Cu
data:
COPPER
S   10
  1      0.157060E+07           0.547769E-04     
  2      0.235279E+06           0.425676E-03     
  3      0.535493E+05           0.223357E-02     
  4      0.151669E+05           0.935835E-02     
  5      0.494699E+04           0.332567E-01     
  6      0.178518E+04           0.101280E+00     
  7      0.696614E+03           0.252698E+00     
  8      0.284321E+03           0.479028E+00     
  9      0.120953E+03           0.500000E+00     
 10      0.530174E+02           0.182890E+00     
S   4
  1      0.423595E+03          -0.218890E-01     
  2      0.129580E+03          -0.106016E+00     
  3      0.205697E+02           0.500000E+00     
  4      0.870273E+01           0.485265E+00     
S   2
  1      0.140108E+02          -0.159251E+00     
  2      0.229919E+01           0.500000E+00     
S   1
  1      0.942808E+00           1.0000000        
S   1
  1      0.177390E+00           1.0000000        
S   1
  1      0.585297E-01           1.0000000        
P   8
  1      0.623502E+04           0.509979E-03     
  2      0.147707E+04           0.443656E-02     
  3      0.477562E+03           0.242106E-01     
  4      0.182396E+03           0.928335E-01     
  5      0.764757E+02           0.261491E+00     
  6      0.338786E+02           0.483870E+00     
  7      0.156002E+02           0.500000E+00     
  8      0.705689E+01           0.198917E+00     
P   4
  1      0.379007E+02          -0.198123E-01     
  2      0.583427E+01           0.268826E+00     
  3      0.271517E+01           0.500000E+00     
  4      0.124587E+01           0.406308E+00     
P   1
  1      0.536810E+00           1.0000000        
P   1
  1      0.151000E+00           1.0000000        
D   6
  1      0.182163E+03           0.363157E-02     
  2      0.542407E+02           0.282563E-01     
  3      0.203359E+02           0.118381E+00     
  4      0.827487E+01           0.306851E+00     
  5      0.351445E+01           0.476323E+00     
  6      0.144484E+01           0.500000E+00     
D   1
  1      0.553001E+00           1.0000000        
D   1
  1      0.186360E+00           1.0000000        
F   1
  1      0.472900E+01           1.0000000        
F   1
  1      0.105100E+01           1.0000000        
G   1
  1      0.239600E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Zn
data:
ZINC
S   10
  1      0.167955E+07           0.548640E-04     
  2      0.251608E+06           0.426330E-03     
  3      0.572671E+05           0.223692E-02     
  4      0.162205E+05           0.937168E-02     
  5      0.529132E+04           0.332949E-01     
  6      0.190992E+04           0.101364E+00     
  7      0.745576E+03           0.252816E+00     
  8      0.304424E+03           0.479280E+00     
  9      0.129568E+03           0.500000E+00     
 10      0.568519E+02           0.182608E+00     
S   4
  1      0.454432E+03          -0.219166E-01     
  2      0.139109E+03          -0.106281E+00     
  3      0.221566E+02           0.500000E+00     
  4      0.939858E+01           0.482945E+00     
S   2
  1      0.151959E+02          -0.159820E+00     
  2      0.249568E+01           0.500000E+00     
S   1
  1      0.101945E+01           1.0000000        
S   1
  1      0.187503E+00           1.0000000        
S   1
  1      0.611397E-01           1.0000000        
P   8
  1      0.674485E+04           0.503986E-03     
  2      0.159782E+04           0.438698E-02     
  3      0.516693E+03           0.239676E-01     
  4      0.197359E+03           0.921783E-01     
  5      0.827869E+02           0.260399E+00     
  6      0.367118E+02           0.483241E+00     
  7      0.169220E+02           0.500000E+00     
  8      0.766344E+01           0.198387E+00     
P   4
  1      0.410050E+02          -0.199873E-01     
  2      0.636232E+01           0.269132E+00     
  3      0.295533E+01           0.500000E+00     
  4      0.135262E+01           0.405461E+00     
P   1
  1      0.581420E+00           1.0000000        
P   1
  1      0.164000E+00           1.0000000        
D   6
  1      0.197700E+03           0.368771E-02     
  2      0.588986E+02           0.288172E-01     
  3      0.221214E+02           0.120697E+00     
  4      0.903018E+01           0.311339E+00     
  5      0.383994E+01           0.479743E+00     
  6      0.157921E+01           0.500000E+00     
D   1
  1      0.604323E+00           1.0000000        
D   1
  1      0.203408E+00           1.0000000        
F   1
  1      0.520100E+01           1.0000000        
F   1
  1      0.115600E+01           1.0000000        
G   1
  1      0.263500E+01           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ga
data:
GALLIUM
S   10
  1      0.180377E+07           0.544142E-04     
  2      0.270222E+06           0.422822E-03     
  3      0.615028E+05           0.221869E-02     
  4      0.174191E+05           0.929709E-02     
  5      0.568152E+04           0.330454E-01     
  6      0.205030E+04           0.100693E+00     
  7      0.800183E+03           0.251553E+00     
  8      0.326609E+03           0.477928E+00     
  9      0.139056E+03           0.500000E+00     
 10      0.610653E+02           0.183865E+00     
S   4
  1      0.485652E+03          -0.220764E-01     
  2      0.148805E+03          -0.106977E+00     
  3      0.238485E+02           0.500000E+00     
  4      0.101616E+02           0.484896E+00     
S   2
  1      0.163918E+02          -0.161716E+00     
  2      0.272042E+01           0.500000E+00     
S   1
  1      0.113882E+01           1.0000000        
S   1
  1      0.240293E+00           1.0000000        
S   1
  1      0.825337E-01           1.0000000        
P   8
  1      0.712868E+04           0.522814E-03     
  2      0.168885E+04           0.454957E-02     
  3      0.546151E+03           0.248554E-01     
  4      0.208567E+03           0.954974E-01     
  5      0.875498E+02           0.268536E+00     
  6      0.388278E+02           0.494667E+00     
  7      0.179241E+02           0.500000E+00     
  8      0.814015E+01           0.192455E+00     
P   4
  1      0.448681E+02          -0.179633E-01     
  2      0.667977E+01           0.270281E+00     
  3      0.291189E+01           0.500000E+00     
  4      0.122447E+01           0.332005E+00     
P   1
  1      0.429221E+00           1.0000000        
P   1
  1      0.143750E+00           1.0000000        
P   1
  1      0.438304E-01           1.0000000        
D   7
  1      0.239609E+03           0.299033E-02     
  2      0.714194E+02           0.241649E-01     
  3      0.268244E+02           0.106267E+00     
  4      0.110349E+02           0.284225E+00     
  5      0.477843E+01           0.462233E+00     
  6      0.202079E+01           0.500000E+00     
  7      0.807299E+00           0.370507E+00     
D   1
  1      0.290639E+00           1.0000000        
D   1
  1      0.108000E+00           1.0000000        
F   1
  1      0.360000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Ge
data:
GERMANIUM
S   10
  1      0.192479E+07           0.543249E-04     
  2      0.288379E+06           0.422068E-03     
  3      0.656421E+05           0.221441E-02     
  4      0.185937E+05           0.927777E-02     
  5      0.606534E+04           0.329741E-01     
  6      0.218913E+04           0.100485E+00     
  7      0.854481E+03           0.251168E+00     
  8      0.348782E+03           0.477622E+00     
  9      0.148576E+03           0.500000E+00     
 10      0.653223E+02           0.184433E+00     
S   4
  1      0.517931E+03          -0.222239E-01     
  2      0.158832E+03          -0.107627E+00     
  3      0.256016E+02           0.500000E+00     
  4      0.109544E+02           0.486731E+00     
S   2
  1      0.176323E+02          -0.162908E+00     
  2      0.295358E+01           0.500000E+00     
S   1
  1      0.126565E+01           1.0000000        
S   1
  1      0.296512E+00           1.0000000        
S   1
  1      0.104203E+00           1.0000000        
P   8
  1      0.770372E+04           0.512085E-03     
  2      0.182490E+04           0.446003E-02     
  3      0.590190E+03           0.244031E-01     
  4      0.225385E+03           0.941157E-01     
  5      0.946204E+02           0.265870E+00     
  6      0.419930E+02           0.491995E+00     
  7      0.194086E+02           0.500000E+00     
  8      0.882544E+01           0.193579E+00     
P   4
  1      0.482340E+02          -0.181087E-01     
  2      0.724673E+01           0.269211E+00     
  3      0.316909E+01           0.500000E+00     
  4      0.134377E+01           0.324990E+00     
P   1
  1      0.462196E+00           1.0000000        
P   1
  1      0.168692E+00           1.0000000        
P   1
  1      0.561531E-01           1.0000000        
D   7
  1      0.279765E+03           0.259701E-02     
  2      0.834083E+02           0.214712E-01     
  3      0.313685E+02           0.972488E-01     
  4      0.130112E+02           0.265967E+00     
  5      0.571117E+01           0.449634E+00     
  6      0.246465E+01           0.500000E+00     
  7      0.101479E+01           0.365636E+00     
D   1
  1      0.381497E+00           1.0000000        
D   1
  1      0.141000E+00           1.0000000        
F   1
  1      0.400000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: As
data:
ARSENIC
S   10
  1      0.205537E+07           0.540253E-04     
  2      0.307926E+06           0.419788E-03     
  3      0.700895E+05           0.220252E-02     
  4      0.198519E+05           0.923006E-02     
  5      0.647476E+04           0.328171E-01     
  6      0.233646E+04           0.100072E+00     
  7      0.911858E+03           0.250384E+00     
  8      0.372169E+03           0.476745E+00     
  9      0.158615E+03           0.500000E+00     
 10      0.697992E+02           0.185402E+00     
S   4
  1      0.551210E+03          -0.223679E-01     
  2      0.169177E+03          -0.108256E+00     
  3      0.274187E+02           0.500000E+00     
  4      0.117781E+02           0.488621E+00     
S   2
  1      0.189175E+02          -0.163524E+00     
  2      0.319589E+01           0.500000E+00     
S   1
  1      0.139887E+01           1.0000000        
S   1
  1      0.355929E+00           1.0000000        
S   1
  1      0.126310E+00           1.0000000        
P   8
  1      0.832398E+04           0.498804E-03     
  2      0.197182E+04           0.434758E-02     
  3      0.637888E+03           0.238145E-01     
  4      0.243661E+03           0.921917E-01     
  5      0.102323E+03           0.261788E+00     
  6      0.454593E+02           0.487224E+00     
  7      0.210416E+02           0.500000E+00     
  8      0.958039E+01           0.196006E+00     
P   4
  1      0.516292E+02          -0.184035E-01     
  2      0.786734E+01           0.267341E+00     
  3      0.347359E+01           0.500000E+00     
  4      0.149747E+01           0.323502E+00     
P   1
  1      0.530912E+00           1.0000000        
P   1
  1      0.202185E+00           1.0000000        
P   1
  1      0.700296E-01           1.0000000        
D   7
  1      0.325688E+03           0.225051E-02     
  2      0.971148E+02           0.190010E-01     
  3      0.365964E+02           0.883065E-01     
  4      0.153229E+02           0.246702E+00     
  5      0.681442E+01           0.434687E+00     
  6      0.299648E+01           0.500000E+00     
  7      0.126665E+01           0.368205E+00     
D   1
  1      0.492253E+00           1.0000000        
D   1
  1      0.168000E+00           1.0000000        
F   1
  1      0.440000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Se
data:
SELENIUM
S   10
  1      0.218776E+07           0.538090E-04     
  2      0.327767E+06           0.418068E-03     
  3      0.746093E+05           0.219340E-02     
  4      0.211337E+05           0.919068E-02     
  5      0.689401E+04           0.326703E-01     
  6      0.248852E+04           0.996050E-01     
  7      0.971570E+03           0.249373E+00     
  8      0.396576E+03           0.475616E+00     
  9      0.169096E+03           0.500000E+00     
 10      0.744719E+02           0.186553E+00     
S   4
  1      0.585490E+03          -0.225128E-01     
  2      0.179839E+03          -0.108887E+00     
  3      0.293027E+02           0.500000E+00     
  4      0.126365E+02           0.490730E+00     
S   2
  1      0.202416E+02          -0.164470E+00     
  2      0.345425E+01           0.500000E+00     
S   1
  1      0.154391E+01           1.0000000        
S   1
  1      0.420486E+00           1.0000000        
S   1
  1      0.150492E+00           1.0000000        
P   8
  1      0.894031E+04           0.490134E-03     
  2      0.211813E+04           0.427269E-02     
  3      0.685440E+03           0.234241E-01     
  4      0.261906E+03           0.909124E-01     
  5      0.110066E+03           0.258938E+00     
  6      0.489739E+02           0.483639E+00     
  7      0.227145E+02           0.500000E+00     
  8      0.103630E+02           0.198184E+00     
P   4
  1      0.551463E+02          -0.186851E-01     
  2      0.851433E+01           0.265642E+00     
  3      0.379585E+01           0.500000E+00     
  4      0.166298E+01           0.321211E+00     
P   1
  1      0.616266E+00           1.0000000        
P   1
  1      0.234323E+00           1.0000000        
P   1
  1      0.801968E-01           1.0000000        
D   7
  1      0.359017E+03           0.216572E-02     
  2      0.107122E+03           0.184240E-01     
  3      0.404500E+02           0.863477E-01     
  4      0.170105E+02           0.243244E+00     
  5      0.760194E+01           0.433404E+00     
  6      0.337047E+01           0.500000E+00     
  7      0.144400E+01           0.355242E+00     
D   1
  1      0.573734E+00           1.0000000        
D   1
  1      0.214000E+00           1.0000000        
F   1
  1      0.480000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Br
data:
BROMINE
S   10
  1      0.233625E+07           0.532336E-04     
  2      0.349961E+06           0.413715E-03     
  3      0.796444E+05           0.217123E-02     
  4      0.225555E+05           0.910109E-02     
  5      0.735546E+04           0.323789E-01     
  6      0.265352E+04           0.988755E-01     
  7      0.103517E+04           0.248138E+00     
  8      0.422205E+03           0.474328E+00     
  9      0.180035E+03           0.500000E+00     
 10      0.793308E+02           0.187769E+00     
S   4
  1      0.620834E+03          -0.226511E-01     
  2      0.190829E+03          -0.109497E+00     
  3      0.312505E+02           0.500000E+00     
  4      0.135270E+02           0.492812E+00     
S   2
  1      0.216097E+02          -0.165418E+00     
  2      0.372566E+01           0.500000E+00     
S   1
  1      0.169770E+01           1.0000000        
S   1
  1      0.489332E+00           1.0000000        
S   1
  1      0.175712E+00           1.0000000        
P   8
  1      0.960829E+04           0.478974E-03     
  2      0.227618E+04           0.417853E-02     
  3      0.736723E+03           0.229315E-01     
  4      0.281579E+03           0.892653E-01     
  5      0.118395E+03           0.255288E+00     
  6      0.527481E+02           0.479074E+00     
  7      0.245098E+02           0.500000E+00     
  8      0.112009E+02           0.200944E+00     
P   4
  1      0.587849E+02          -0.189674E-01     
  2      0.918962E+01           0.264104E+00     
  3      0.413895E+01           0.500000E+00     
  4      0.184225E+01           0.319316E+00     
P   1
  1      0.713862E+00           1.0000000        
P   1
  1      0.274232E+00           1.0000000        
P   1
  1      0.944411E-01           1.0000000        
D   7
  1      0.398470E+03           0.204066E-02     
  2      0.118967E+03           0.175171E-01     
  3      0.450197E+02           0.829708E-01     
  4      0.190320E+02           0.236284E+00     
  5      0.855686E+01           0.428468E+00     
  6      0.382950E+01           0.500000E+00     
  7      0.166291E+01           0.349360E+00     
D   1
  1      0.672953E+00           1.0000000        
D   1
  1      0.252000E+00           1.0000000        
F   1
  1      0.530000E+00           1.0000000


name: pcseg-2
description: Polarized Valence Triple Zeta, DFT Optimized
elt: Kr
data:
KRYPTON
S   10
  1      0.247043E+07           0.533022E-04     
  2      0.370086E+06           0.414210E-03     
  3      0.842215E+05           0.217399E-02     
  4      0.238528E+05           0.911103E-02     
  5      0.778023E+04           0.324007E-01     
  6      0.280777E+04           0.988948E-01     
  7      0.109590E+04           0.248077E+00     
  8      0.447201E+03           0.474231E+00     
  9      0.190853E+03           0.500000E+00     
 10      0.842031E+02           0.188353E+00     
S   4
  1      0.657163E+03          -0.227918E-01     
  2      0.202133E+03          -0.110111E+00     
  3      0.332655E+02           0.500000E+00     
  4      0.144521E+02           0.495084E+00     
S   2
  1      0.230223E+02          -0.166413E+00     
  2      0.401050E+01           0.500000E+00     
S   1
  1      0.186066E+01           1.0000000        
S   1
  1      0.562601E+00           1.0000000        
S   1
  1      0.201932E+00           1.0000000        
P   8
  1      0.103514E+05           0.463594E-03     
  2      0.245206E+04           0.404742E-02     
  3      0.793771E+03           0.222448E-01     
  4      0.303400E+03           0.869601E-01     
  5      0.127577E+03           0.250202E+00     
  6      0.568830E+02           0.472890E+00     
  7      0.264596E+02           0.500000E+00     
  8      0.121000E+02           0.204279E+00     
P   4
  1      0.625655E+02          -0.192030E-01     
  2      0.988490E+01           0.262852E+00     
  3      0.449327E+01           0.500000E+00     
  4      0.202675E+01           0.316279E+00     
P   1
  1      0.815863E+00           1.0000000        
P   1
  1      0.316534E+00           1.0000000        
P   1
  1      0.109885E+00           1.0000000        
D   7
  1      0.456070E+03           0.179481E-02     
  2      0.136255E+03           0.156300E-01     
  3      0.517208E+02           0.753276E-01     
  4      0.220644E+02           0.218726E+00     
  5      0.100193E+02           0.412632E+00     
  6      0.454710E+01           0.500000E+00     
  7      0.201258E+01           0.361756E+00     
D   1
  1      0.830961E+00           1.0000000        
D   1
  1      0.308000E+00           1.0000000        
F   1
  1      0.590000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: H
data:
HYDROGEN
S   6
  1      0.765363E+03           0.337953E-03     
  2      0.114768E+03           0.262513E-02     
  3      0.261385E+02           0.137591E-01     
  4      0.741801E+01           0.570930E-01     
  5      0.243212E+01           0.192568E+00     
  6      0.880001E+00           0.500000E+00     
S   1
  1      0.338438E+00           1.0000000        
S   1
  1      0.134045E+00           1.0000000        
S   1
  1      0.520726E-01           1.0000000        
P   1
  1      0.650000E+01           1.0000000        
P   1
  1      0.155000E+01           1.0000000        
P   1
  1      0.550000E+00           1.0000000        
P   1
  1      0.200000E+00           1.0000000        
D   1
  1      0.195000E+01           1.0000000        
D   1
  1      0.650000E+00           1.0000000        
F   1
  1      0.220000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: He
data:
HELIUM
S   6
  1      0.216842E+04           0.400235E-03     
  2      0.325139E+03           0.310446E-02     
  3      0.740268E+02           0.161687E-01     
  4      0.209838E+02           0.656967E-01     
  5      0.684741E+01           0.210258E+00     
  6      0.244009E+01           0.500000E+00     
S   1
  1      0.902695E+00           1.0000000        
S   1
  1      0.333189E+00           1.0000000        
S   1
  1      0.124147E+00           1.0000000        
P   1
  1      0.107000E+02           1.0000000        
P   1
  1      0.255000E+01           1.0000000        
P   1
  1      0.900000E+00           1.0000000        
P   1
  1      0.330000E+00           1.0000000        
D   1
  1      0.320000E+01           1.0000000        
D   1
  1      0.107000E+01           1.0000000        
F   1
  1      0.320000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Li
data:
LITHIUM
S   9
  1      0.167676E+05           0.548482E-04     
  2      0.251260E+04           0.426081E-03     
  3      0.571962E+03           0.223529E-02     
  4      0.162044E+03           0.935746E-02     
  5      0.528937E+02           0.330788E-01     
  6      0.191144E+02           0.985546E-01     
  7      0.744282E+01           0.235105E+00     
  8      0.310814E+01           0.374041E+00     
  9      0.123859E+01           0.500000E+00     
S   3
  1      0.230122E+01           0.157041E+00     
  2      0.575547E+00           0.500000E+00     
  3      0.319787E+00           0.165700E+00     
S   1
  1      0.978919E-01           1.0000000        
S   1
  1      0.430982E-01           1.0000000        
S   1
  1      0.182277E-01           1.0000000        
P   4
  1      0.910399E+01           0.799959E-02     
  2      0.199073E+01           0.557463E-01     
  3      0.547532E+00           0.202438E+00     
  4      0.186670E+00           0.500000E+00     
P   1
  1      0.644482E-01           1.0000000        
P   1
  1      0.220116E-01           1.0000000        
D   1
  1      0.480000E+00           1.0000000        
D   1
  1      0.150000E+00           1.0000000        
F   1
  1      0.350000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Be
data:
BERYLLIUM
S   9
  1      0.451328E+05           0.369951E-04     
  2      0.676189E+04           0.287551E-03     
  3      0.153924E+04           0.150981E-02     
  4      0.436048E+03           0.634391E-02     
  5      0.142288E+03           0.227074E-01     
  6      0.513976E+02           0.702526E-01     
  7      0.200404E+02           0.182348E+00     
  8      0.838919E+01           0.346016E+00     
  9      0.315888E+01           0.500000E+00     
S   3
  1      0.498639E+01           0.164771E+00     
  2      0.150654E+01           0.500000E+00     
  3      0.713794E+00           0.194595E+00     
S   1
  1      0.233638E+00           1.0000000        
S   1
  1      0.929844E-01           1.0000000        
S   1
  1      0.370775E-01           1.0000000        
P   4
  1      0.141028E+02           0.807698E-02     
  2      0.312396E+01           0.568247E-01     
  3      0.875727E+00           0.209061E+00     
  4      0.298792E+00           0.500000E+00     
P   1
  1      0.102937E+00           1.0000000        
P   1
  1      0.344928E-01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.550000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: B
data:
BORON
S   9
  1      0.865940E+05           0.305111E-04     
  2      0.129706E+05           0.237202E-03     
  3      0.295170E+04           0.124641E-02     
  4      0.836053E+03           0.524374E-02     
  5      0.272779E+03           0.188482E-01     
  6      0.985332E+02           0.590219E-01     
  7      0.385109E+02           0.157175E+00     
  8      0.162891E+02           0.311618E+00     
  9      0.618043E+01           0.500000E+00     
S   3
  1      0.956670E+01           0.136896E+00     
  2      0.292535E+01           0.500000E+00     
  3      0.133841E+01           0.228480E+00     
S   1
  1      0.422398E+00           1.0000000        
S   1
  1      0.166416E+00           1.0000000        
S   1
  1      0.645821E-01           1.0000000        
P   6
  1      0.904211E+02           0.945921E-03     
  2      0.212377E+02           0.772036E-02     
  3      0.658132E+01           0.379008E-01     
  4      0.257179E+01           0.100998E+00     
  5      0.105508E+01           0.275779E+00     
  6      0.453800E+00           0.500000E+00     
P   1
  1      0.195464E+00           1.0000000        
P   1
  1      0.834724E-01           1.0000000        
P   1
  1      0.333661E-01           1.0000000        
D   1
  1      0.400000E+01           1.0000000        
D   1
  1      0.105000E+01           1.0000000        
D   1
  1      0.400000E+00           1.0000000        
D   1
  1      0.150000E+00           1.0000000        
F   1
  1      0.120000E+01           1.0000000        
F   1
  1      0.520000E+00           1.0000000        
G   1
  1      0.130000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: C
data:
CARBON
S   9
  1      0.143581E+06           0.267190E-04     
  2      0.215133E+05           0.207621E-03     
  3      0.489740E+04           0.109088E-02     
  4      0.138722E+04           0.459228E-02     
  5      0.452628E+03           0.165435E-01     
  6      0.163519E+03           0.521382E-01     
  7      0.639884E+02           0.141043E+00     
  8      0.271173E+02           0.291555E+00     
  9      0.102722E+02           0.500000E+00     
S   3
  1      0.156528E+02           0.120341E+00     
  2      0.478395E+01           0.500000E+00     
  3      0.213710E+01           0.245824E+00     
S   1
  1      0.665860E+00           1.0000000        
S   1
  1      0.259029E+00           1.0000000        
S   1
  1      0.971914E-01           1.0000000        
P   6
  1      0.147543E+03           0.865129E-03     
  2      0.347418E+02           0.718201E-02     
  3      0.108264E+02           0.364875E-01     
  4      0.415975E+01           0.106349E+00     
  5      0.170307E+01           0.282579E+00     
  6      0.731895E+00           0.500000E+00     
P   1
  1      0.315028E+00           1.0000000        
P   1
  1      0.131999E+00           1.0000000        
P   1
  1      0.517848E-01           1.0000000        
D   1
  1      0.520000E+01           1.0000000        
D   1
  1      0.135000E+01           1.0000000        
D   1
  1      0.520000E+00           1.0000000        
D   1
  1      0.200000E+00           1.0000000        
F   1
  1      0.150000E+01           1.0000000        
F   1
  1      0.650000E+00           1.0000000        
G   1
  1      0.140000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: N
data:
NITROGEN
S   9
  1      0.215819E+06           0.243667E-04     
  2      0.323277E+05           0.189390E-03     
  3      0.735786E+04           0.995356E-03     
  4      0.208412E+04           0.419220E-02     
  5      0.680035E+03           0.151197E-01     
  6      0.245689E+03           0.478525E-01     
  7      0.961293E+02           0.131016E+00     
  8      0.406593E+02           0.280076E+00     
  9      0.153446E+02           0.500000E+00     
S   3
  1      0.230987E+02           0.110962E+00     
  2      0.705507E+01           0.500000E+00     
  3      0.310495E+01           0.256277E+00     
S   1
  1      0.963116E+00           1.0000000        
S   1
  1      0.368896E+00           1.0000000        
S   1
  1      0.134427E+00           1.0000000        
P   6
  1      0.217855E+03           0.812871E-03     
  2      0.513777E+02           0.681364E-02     
  3      0.160677E+02           0.354302E-01     
  4      0.610124E+01           0.109193E+00     
  5      0.249806E+01           0.286292E+00     
  6      0.107148E+01           0.500000E+00     
P   1
  1      0.458362E+00           1.0000000        
P   1
  1      0.189276E+00           1.0000000        
P   1
  1      0.733681E-01           1.0000000        
D   1
  1      0.600000E+01           1.0000000        
D   1
  1      0.165000E+01           1.0000000        
D   1
  1      0.650000E+00           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.180000E+01           1.0000000        
F   1
  1      0.770000E+00           1.0000000        
G   1
  1      0.150000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: O
data:
OXYGEN
S   9
  1      0.297874E+06           0.229997E-04     
  2      0.446128E+05           0.178787E-03     
  3      0.101544E+05           0.939588E-03     
  4      0.287635E+04           0.395840E-02     
  5      0.938366E+03           0.142931E-01     
  6      0.338860E+03           0.453776E-01     
  7      0.132417E+03           0.125417E+00     
  8      0.557372E+02           0.275002E+00     
  9      0.208655E+02           0.500000E+00     
S   3
  1      0.313340E+02           0.108874E+00     
  2      0.957343E+01           0.500000E+00     
  3      0.420898E+01           0.261071E+00     
S   1
  1      0.132803E+01           1.0000000        
S   1
  1      0.509670E+00           1.0000000        
S   1
  1      0.184277E+00           1.0000000        
P   6
  1      0.288445E+03           0.828752E-03     
  2      0.681261E+02           0.694505E-02     
  3      0.215679E+02           0.354837E-01     
  4      0.823414E+01           0.112584E+00     
  5      0.336796E+01           0.291518E+00     
  6      0.143385E+01           0.500000E+00     
P   1
  1      0.600576E+00           1.0000000        
P   1
  1      0.237909E+00           1.0000000        
P   1
  1      0.880635E-01           1.0000000        
D   1
  1      0.700000E+01           1.0000000        
D   1
  1      0.200000E+01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
D   1
  1      0.300000E+00           1.0000000        
F   1
  1      0.210000E+01           1.0000000        
F   1
  1      0.900000E+00           1.0000000        
G   1
  1      0.160000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: F
data:
FLUORINE
S   9
  1      0.396439E+06           0.219017E-04     
  2      0.593771E+05           0.170257E-03     
  3      0.135140E+05           0.894910E-03     
  4      0.382771E+04           0.377107E-02     
  5      0.124874E+04           0.136243E-01     
  6      0.450873E+03           0.433593E-01     
  7      0.176024E+03           0.120740E+00     
  8      0.738615E+02           0.269907E+00     
  9      0.275355E+02           0.500000E+00     
S   3
  1      0.411896E+02           0.105405E+00     
  2      0.125741E+02           0.500000E+00     
  3      0.550631E+01           0.266435E+00     
S   1
  1      0.174774E+01           1.0000000        
S   1
  1      0.669105E+00           1.0000000        
S   1
  1      0.240012E+00           1.0000000        
P   6
  1      0.358526E+03           0.875776E-03     
  2      0.846998E+02           0.734788E-02     
  3      0.268415E+02           0.377440E-01     
  4      0.101837E+02           0.121109E+00     
  5      0.417654E+01           0.303560E+00     
  6      0.177542E+01           0.500000E+00     
P   1
  1      0.741685E+00           1.0000000        
P   1
  1      0.294241E+00           1.0000000        
P   1
  1      0.109976E+00           1.0000000        
D   1
  1      0.840000E+01           1.0000000        
D   1
  1      0.260000E+01           1.0000000        
D   1
  1      0.100000E+01           1.0000000        
D   1
  1      0.350000E+00           1.0000000        
F   1
  1      0.260000E+01           1.0000000        
F   1
  1      0.105000E+01           1.0000000        
G   1
  1      0.170000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ne
data:
NEON
S   9
  1      0.510469E+06           0.210836E-04     
  2      0.764520E+05           0.163895E-03     
  3      0.174080E+05           0.860786E-03     
  4      0.493142E+04           0.362889E-02     
  5      0.160817E+04           0.131287E-01     
  6      0.580306E+03           0.418754E-01     
  7      0.226348E+03           0.117302E+00     
  8      0.947307E+02           0.266341E+00     
  9      0.352287E+02           0.500000E+00     
S   3
  1      0.524164E+02           0.102520E+00     
  2      0.160116E+02           0.500000E+00     
  3      0.698003E+01           0.270720E+00     
S   1
  1      0.221793E+01           1.0000000        
S   1
  1      0.844395E+00           1.0000000        
S   1
  1      0.300330E+00           1.0000000        
P   6
  1      0.440830E+03           0.898725E-03     
  2      0.104220E+03           0.754697E-02     
  3      0.330574E+02           0.390197E-01     
  4      0.124669E+02           0.126861E+00     
  5      0.511395E+01           0.311350E+00     
  6      0.216841E+01           0.500000E+00     
P   1
  1      0.902938E+00           1.0000000        
P   1
  1      0.358814E+00           1.0000000        
P   1
  1      0.134844E+00           1.0000000        
D   1
  1      0.100000E+02           1.0000000        
D   1
  1      0.300000E+01           1.0000000        
D   1
  1      0.115000E+01           1.0000000        
D   1
  1      0.400000E+00           1.0000000        
F   1
  1      0.280000E+01           1.0000000        
F   1
  1      0.115000E+01           1.0000000        
G   1
  1      0.180000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Na
data:
SODIUM
S   11
  1      0.431559E+06           0.264167E-04     
  2      0.646498E+05           0.205316E-03     
  3      0.147155E+05           0.107846E-02     
  4      0.416919E+04           0.453669E-02     
  5      0.136007E+04           0.163312E-01     
  6      0.490899E+03           0.514213E-01     
  7      0.191567E+03           0.139239E+00     
  8      0.791503E+02           0.312440E+00     
  9      0.340517E+02           0.519283E+00     
 10      0.150457E+02           0.500000E+00     
 11      0.665355E+01           0.177126E+00     
S   5
  1      0.131134E+03          -0.461014E-02     
  2      0.405944E+02          -0.366414E-01     
  3      0.147837E+02          -0.109925E+00     
  4      0.262202E+01           0.412302E+00     
  5      0.102399E+01           0.500000E+00     
S   2
  1      0.126141E+01           0.288600E+00     
  2      0.429184E+00           0.500000E+00     
S   1
  1      0.797567E-01           1.0000000        
S   1
  1      0.369033E-01           1.0000000        
S   1
  1      0.167525E-01           1.0000000        
P   9
  1      0.114565E+04           0.241579E-03     
  2      0.271957E+03           0.208907E-02     
  3      0.884085E+02           0.112543E-01     
  4      0.330239E+02           0.472821E-01     
  5      0.134670E+02           0.137467E+00     
  6      0.592527E+01           0.303620E+00     
  7      0.266564E+01           0.462045E+00     
  8      0.118952E+01           0.500000E+00     
  9      0.514436E+00           0.342398E+00     
P   1
  1      0.211923E+00           1.0000000        
P   1
  1      0.100000E+00           1.0000000        
P   1
  1      0.370000E-01           1.0000000        
D   1
  1      0.910000E+00           1.0000000        
D   1
  1      0.190000E+00           1.0000000        
F   1
  1      0.270000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Mg
data:
MAGNESIUM
S   11
  1      0.538259E+06           0.245171E-04     
  2      0.805844E+05           0.190712E-03     
  3      0.183370E+05           0.100214E-02     
  4      0.519433E+04           0.421655E-02     
  5      0.169476E+04           0.151856E-01     
  6      0.611505E+03           0.479832E-01     
  7      0.238275E+03           0.131144E+00     
  8      0.981804E+02           0.298073E+00     
  9      0.422541E+02           0.502336E+00     
 10      0.187245E+02           0.500000E+00     
 11      0.830456E+01           0.189152E+00     
S   5
  1      0.149806E+03          -0.541681E-02     
  2      0.468043E+02          -0.411145E-01     
  3      0.174271E+02          -0.116283E+00     
  4      0.333187E+01           0.389056E+00     
  5      0.137463E+01           0.500000E+00     
S   2
  1      0.174095E+01           0.268043E+00     
  2      0.624536E+00           0.500000E+00     
S   1
  1      0.175615E+00           1.0000000        
S   1
  1      0.770183E-01           1.0000000        
S   1
  1      0.312628E-01           1.0000000        
P   9
  1      0.151559E+04           0.212859E-03     
  2      0.359697E+03           0.185065E-02     
  3      0.116778E+03           0.101302E-01     
  4      0.436050E+02           0.430856E-01     
  5      0.179485E+02           0.127024E+00     
  6      0.794618E+01           0.290143E+00     
  7      0.360728E+01           0.459047E+00     
  8      0.164510E+01           0.500000E+00     
  9      0.741391E+00           0.336687E+00     
P   1
  1      0.316719E+00           1.0000000        
P   1
  1      0.149000E+00           1.0000000        
P   1
  1      0.550000E-01           1.0000000        
D   1
  1      0.120000E+01           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.330000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Al
data:
ALUMINUM
S   11
  1      0.635250E+06           0.243366E-04     
  2      0.951669E+05           0.189110E-03     
  3      0.216653E+05           0.993237E-03     
  4      0.613837E+04           0.417942E-02     
  5      0.200260E+04           0.150561E-01     
  6      0.722766E+03           0.475522E-01     
  7      0.281889E+03           0.129934E+00     
  8      0.116319E+03           0.295447E+00     
  9      0.502327E+02           0.497904E+00     
 10      0.223656E+02           0.500000E+00     
 11      0.997266E+01           0.193745E+00     
S   5
  1      0.173961E+03          -0.560174E-02     
  2      0.545143E+02          -0.418847E-01     
  3      0.205246E+02          -0.115579E+00     
  4      0.406142E+01           0.364710E+00     
  5      0.172934E+01           0.500000E+00     
S   2
  1      0.227305E+01           0.250000E+00     
  2      0.824936E+00           0.500000E+00     
S   1
  1      0.291801E+00           1.0000000        
S   1
  1      0.126853E+00           1.0000000        
S   1
  1      0.510832E-01           1.0000000        
P   9
  1      0.204687E+04           0.172759E-03     
  2      0.484800E+03           0.151557E-02     
  3      0.156899E+03           0.846652E-02     
  4      0.585848E+02           0.363402E-01     
  5      0.244437E+02           0.108655E+00     
  6      0.109115E+02           0.259167E+00     
  7      0.501291E+01           0.439384E+00     
  8      0.233568E+01           0.500000E+00     
  9      0.108523E+01           0.349136E+00     
P   2
  1      0.430592E+01          -0.352805E-01     
  2      0.493114E+00           0.500000E+00     
P   1
  1      0.205969E+00           1.0000000        
P   1
  1      0.796936E-01           1.0000000        
P   1
  1      0.290505E-01           1.0000000        
D   1
  1      0.560000E+01           1.0000000        
D   1
  1      0.147000E+01           1.0000000        
D   1
  1      0.440000E+00           1.0000000        
D   1
  1      0.160000E+00           1.0000000        
F   1
  1      0.960000E+00           1.0000000        
F   1
  1      0.320000E+00           1.0000000        
G   1
  1      0.580000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Si
data:
SILICON
S   11
  1      0.748049E+06           0.237760E-04     
  2      0.112062E+06           0.184772E-03     
  3      0.255099E+05           0.970572E-03     
  4      0.722775E+04           0.408363E-02     
  5      0.235872E+04           0.147048E-01     
  6      0.851714E+03           0.464497E-01     
  7      0.332270E+03           0.127231E+00     
  8      0.137070E+03           0.290698E+00     
  9      0.592351E+02           0.492331E+00     
 10      0.264202E+02           0.500000E+00     
 11      0.118097E+02           0.197840E+00     
S   5
  1      0.202163E+03          -0.544356E-02     
  2      0.633804E+02          -0.406269E-01     
  3      0.240063E+02          -0.111110E+00     
  4      0.481496E+01           0.343134E+00     
  5      0.211034E+01           0.500000E+00     
S   2
  1      0.287776E+01           0.217578E+00     
  2      0.103765E+01           0.500000E+00     
S   1
  1      0.455439E+00           1.0000000        
S   1
  1      0.187219E+00           1.0000000        
S   1
  1      0.734028E-01           1.0000000        
P   9
  1      0.250318E+04           0.160765E-03     
  2      0.593277E+03           0.141088E-02     
  3      0.192197E+03           0.790720E-02     
  4      0.720058E+02           0.339410E-01     
  5      0.302048E+02           0.102547E+00     
  6      0.135441E+02           0.247831E+00     
  7      0.626317E+01           0.428543E+00     
  8      0.292641E+01           0.500000E+00     
  9      0.136081E+01           0.338283E+00     
P   2
  1      0.575389E+01          -0.293192E-01     
  2      0.618054E+00           0.500000E+00     
P   1
  1      0.269535E+00           1.0000000        
P   1
  1      0.109487E+00           1.0000000        
P   1
  1      0.414472E-01           1.0000000        
D   1
  1      0.666000E+01           1.0000000        
D   1
  1      0.175000E+01           1.0000000        
D   1
  1      0.520000E+00           1.0000000        
D   1
  1      0.190000E+00           1.0000000        
F   1
  1      0.115000E+01           1.0000000        
F   1
  1      0.380000E+00           1.0000000        
G   1
  1      0.650000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: P
data:
PHOSPHORUS
S   11
  1      0.865881E+06           0.234857E-04     
  2      0.129712E+06           0.182584E-03     
  3      0.295250E+05           0.958977E-03     
  4      0.836547E+04           0.403497E-02     
  5      0.273010E+04           0.145297E-01     
  6      0.986127E+03           0.458799E-01     
  7      0.385012E+03           0.125675E+00     
  8      0.158980E+03           0.287602E+00     
  9      0.688397E+02           0.488047E+00     
 10      0.307888E+02           0.500000E+00     
 11      0.138006E+02           0.201568E+00     
S   5
  1      0.233392E+03          -0.519054E-02     
  2      0.731781E+02          -0.388074E-01     
  3      0.278301E+02          -0.105853E+00     
  4      0.558828E+01           0.330842E+00     
  5      0.251070E+01           0.500000E+00     
S   2
  1      0.353778E+01           0.179908E+00     
  2      0.125058E+01           0.500000E+00     
S   1
  1      0.665654E+00           1.0000000        
S   1
  1      0.252062E+00           1.0000000        
S   1
  1      0.966638E-01           1.0000000        
P   9
  1      0.304475E+04           0.148907E-03     
  2      0.721515E+03           0.130935E-02     
  3      0.233797E+03           0.736812E-02     
  4      0.878474E+02           0.316292E-01     
  5      0.370332E+02           0.966519E-01     
  6      0.166689E+02           0.236916E+00     
  7      0.776455E+01           0.417045E+00     
  8      0.366060E+01           0.500000E+00     
  9      0.171126E+01           0.339192E+00     
P   2
  1      0.720731E+01          -0.278509E-01     
  2      0.781371E+00           0.500000E+00     
P   1
  1      0.345477E+00           1.0000000        
P   1
  1      0.143433E+00           1.0000000        
P   1
  1      0.553742E-01           1.0000000        
D   1
  1      0.771000E+01           1.0000000        
D   1
  1      0.203000E+01           1.0000000        
D   1
  1      0.600000E+00           1.0000000        
D   1
  1      0.220000E+00           1.0000000        
F   1
  1      0.134000E+01           1.0000000        
F   1
  1      0.450000E+00           1.0000000        
G   1
  1      0.720000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: S
data:
SULFUR
S   11
  1      0.101074E+07           0.225618E-04     
  2      0.151427E+06           0.175352E-03     
  3      0.344695E+05           0.921237E-03     
  4      0.976496E+04           0.387759E-02     
  5      0.318589E+04           0.139773E-01     
  6      0.115001E+04           0.442384E-01     
  7      0.448520E+03           0.121743E+00     
  8      0.184985E+03           0.280284E+00     
  9      0.801191E+02           0.479437E+00     
 10      0.358655E+02           0.500000E+00     
 11      0.160877E+02           0.207627E+00     
S   5
  1      0.263755E+03          -0.578757E-02     
  2      0.827162E+02          -0.430355E-01     
  3      0.316579E+02          -0.115023E+00     
  4      0.659057E+01           0.332765E+00     
  5      0.304323E+01           0.500000E+00     
S   2
  1      0.423394E+01           0.201657E+00     
  2      0.157406E+01           0.500000E+00     
S   1
  1      0.755526E+00           1.0000000        
S   1
  1      0.304676E+00           1.0000000        
S   1
  1      0.118500E+00           1.0000000        
P   9
  1      0.366448E+04           0.137955E-03     
  2      0.868402E+03           0.121507E-02     
  3      0.281346E+03           0.687114E-02     
  4      0.105919E+03           0.295327E-01     
  5      0.448131E+02           0.913082E-01     
  6      0.202281E+02           0.226926E+00     
  7      0.946953E+01           0.407393E+00     
  8      0.449386E+01           0.500000E+00     
  9      0.211816E+01           0.340143E+00     
P   2
  1      0.858205E+01          -0.275220E-01     
  2      0.984836E+00           0.500000E+00     
P   1
  1      0.424854E+00           1.0000000        
P   1
  1      0.171874E+00           1.0000000        
P   1
  1      0.652722E-01           1.0000000        
D   1
  1      0.876000E+01           1.0000000        
D   1
  1      0.230000E+01           1.0000000        
D   1
  1      0.680000E+00           1.0000000        
D   1
  1      0.250000E+00           1.0000000        
F   1
  1      0.153000E+01           1.0000000        
F   1
  1      0.510000E+00           1.0000000        
G   1
  1      0.790000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Cl
data:
CHLORINE
S   11
  1      0.114608E+07           0.224286E-04     
  2      0.171800E+06           0.174140E-03     
  3      0.391242E+05           0.914478E-03     
  4      0.110874E+05           0.384764E-02     
  5      0.361848E+04           0.138653E-01     
  6      0.130646E+04           0.438901E-01     
  7      0.509667E+03           0.120858E+00     
  8      0.210317E+03           0.278437E+00     
  9      0.912666E+02           0.476404E+00     
 10      0.409763E+02           0.500000E+00     
 11      0.184427E+02           0.210971E+00     
S   5
  1      0.297055E+03          -0.634511E-02     
  2      0.931387E+02          -0.471238E-01     
  3      0.357950E+02          -0.124305E+00     
  4      0.767930E+01           0.333888E+00     
  5      0.364552E+01           0.500000E+00     
S   2
  1      0.500072E+01           0.211972E+00     
  2      0.192948E+01           0.500000E+00     
S   1
  1      0.871033E+00           1.0000000        
S   1
  1      0.360759E+00           1.0000000        
S   1
  1      0.141224E+00           1.0000000        
P   9
  1      0.439743E+04           0.126097E-03     
  2      0.104075E+04           0.111479E-02     
  3      0.336946E+03           0.633485E-02     
  4      0.127121E+03           0.272339E-01     
  5      0.539945E+02           0.851720E-01     
  6      0.244350E+02           0.215037E+00     
  7      0.114847E+02           0.395274E+00     
  8      0.547323E+01           0.500000E+00     
  9      0.258927E+01           0.344994E+00     
P   2
  1      0.101112E+02          -0.283652E-01     
  2      0.121527E+01           0.500000E+00     
P   1
  1      0.523747E+00           1.0000000        
P   1
  1      0.212167E+00           1.0000000        
P   1
  1      0.808722E-01           1.0000000        
D   1
  1      0.981000E+01           1.0000000        
D   1
  1      0.258000E+01           1.0000000        
D   1
  1      0.760000E+00           1.0000000        
D   1
  1      0.280000E+00           1.0000000        
F   1
  1      0.172000E+01           1.0000000        
F   1
  1      0.570000E+00           1.0000000        
G   1
  1      0.860000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ar
data:
ARGON
S   11
  1      0.130960E+07           0.217804E-04     
  2      0.196111E+06           0.169353E-03     
  3      0.446329E+05           0.889843E-03     
  4      0.126447E+05           0.374519E-02     
  5      0.412645E+04           0.134968E-01     
  6      0.149033E+04           0.427260E-01     
  7      0.581551E+03           0.117900E+00     
  8      0.239979E+03           0.272706E+00     
  9      0.104212E+03           0.469546E+00     
 10      0.468349E+02           0.500000E+00     
 11      0.210969E+02           0.216257E+00     
S   5
  1      0.333625E+03          -0.673933E-02     
  2      0.104544E+03          -0.501580E-01     
  3      0.402798E+02          -0.131447E+00     
  4      0.881657E+01           0.333859E+00     
  5      0.429942E+01           0.500000E+00     
S   2
  1      0.584882E+01           0.210324E+00     
  2      0.231292E+01           0.500000E+00     
S   1
  1      0.103369E+01           1.0000000        
S   1
  1      0.428730E+00           1.0000000        
S   1
  1      0.167162E+00           1.0000000        
P   9
  1      0.515675E+04           0.118563E-03     
  2      0.122069E+04           0.104923E-02     
  3      0.395230E+03           0.597979E-02     
  4      0.149337E+03           0.257533E-01     
  5      0.635078E+02           0.815398E-01     
  6      0.287617E+02           0.208237E+00     
  7      0.135620E+02           0.387737E+00     
  8      0.649602E+01           0.500000E+00     
  9      0.308571E+01           0.347642E+00     
P   2
  1      0.117970E+02          -0.289027E-01     
  2      0.146067E+01           0.500000E+00     
P   1
  1      0.630234E+00           1.0000000        
P   1
  1      0.256759E+00           1.0000000        
P   1
  1      0.982268E-01           1.0000000        
D   1
  1      0.108600E+02           1.0000000        
D   1
  1      0.286000E+01           1.0000000        
D   1
  1      0.840000E+00           1.0000000        
D   1
  1      0.310000E+00           1.0000000        
F   1
  1      0.191000E+01           1.0000000        
F   1
  1      0.630000E+00           1.0000000        
G   1
  1      0.930000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: K
data:
POTASSIUM
S   12
  1      0.247246E+07           0.113972E-04     
  2      0.371183E+06           0.882800E-04     
  3      0.846645E+05           0.462945E-03     
  4      0.240184E+05           0.194945E-02     
  5      0.784690E+04           0.705236E-02     
  6      0.283763E+04           0.226145E-01     
  7      0.110937E+04           0.645000E-01     
  8      0.459881E+03           0.162261E+00     
  9      0.199253E+03           0.335601E+00     
 10      0.900595E+02           0.500000E+00     
 11      0.416980E+02           0.432801E+00     
 12      0.191727E+02           0.130845E+00     
S   7
  1      0.818663E+03          -0.950312E-03     
  2      0.253014E+03          -0.950862E-02     
  3      0.983817E+02          -0.414000E-01     
  4      0.431151E+02          -0.894432E-01     
  5      0.935371E+01           0.328938E+00     
  6      0.452432E+01           0.500000E+00     
  7      0.214197E+01           0.216070E+00     
S   4
  1      0.706502E+01          -0.876259E-01     
  2      0.301425E+01          -0.224659E+00     
  3      0.115145E+01           0.337000E+00     
  4      0.525048E+00           0.500000E+00     
S   2
  1      0.558086E+00           0.356900E+00     
  2      0.229695E+00           0.500000E+00     
S   1
  1      0.488886E-01           1.0000000        
S   1
  1      0.219495E-01           1.0000000        
S   1
  1      0.103069E-01           1.0000000        
P   10
  1      0.662518E+04           0.966695E-04     
  2      0.157135E+04           0.853591E-03     
  3      0.510460E+03           0.486370E-02     
  4      0.194737E+03           0.207031E-01     
  5      0.837452E+02           0.672837E-01     
  6      0.380740E+02           0.177924E+00     
  7      0.180726E+02           0.354375E+00     
  8      0.868177E+01           0.500000E+00     
  9      0.421564E+01           0.403318E+00     
 10      0.201500E+01           0.139648E+00     
P   5
  1      0.336606E+02          -0.415066E-02     
  2      0.116890E+02          -0.244726E-01     
  3      0.184380E+01           0.253287E+00     
  4      0.937902E+00           0.500000E+00     
  5      0.482509E+00           0.540790E+00     
P   1
  1      0.238154E+00           1.0000000        
P   1
  1      0.109829E+00           1.0000000        
P   1
  1      0.380000E-01           1.0000000        
D   3
  1      0.184859E+02           0.323278E-01     
  2      0.508172E+01           0.172572E+00     
  3      0.162402E+01           0.500000E+00     
D   1
  1      0.543194E+00           1.0000000        
D   1
  1      0.164843E+00           1.0000000        
D   1
  1      0.480467E-01           1.0000000        
F   1
  1      0.400000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ca
data:
CALCIUM
S   12
  1      0.279625E+07           0.111592E-04     
  2      0.419437E+06           0.865255E-04     
  3      0.956644E+05           0.453517E-03     
  4      0.271562E+05           0.190772E-02     
  5      0.887646E+04           0.690101E-02     
  6      0.320983E+04           0.221504E-01     
  7      0.125439E+04           0.633142E-01     
  8      0.519530E+03           0.159921E+00     
  9      0.224977E+03           0.332431E+00     
 10      0.101667E+03           0.500000E+00     
 11      0.470613E+02           0.439713E+00     
 12      0.216342E+02           0.136325E+00     
S   7
  1      0.904277E+03          -0.978393E-03     
  2      0.279646E+03          -0.978594E-02     
  3      0.108700E+03          -0.426231E-01     
  4      0.477993E+02          -0.908370E-01     
  5      0.105037E+02           0.333393E+00     
  6      0.513457E+01           0.500000E+00     
  7      0.247401E+01           0.219087E+00     
S   4
  1      0.817106E+01          -0.947777E-01     
  2      0.361520E+01          -0.252821E+00     
  3      0.130403E+01           0.374021E+00     
  4      0.634005E+00           0.500000E+00     
S   2
  1      0.706987E+00           0.358574E+00     
  2      0.307995E+00           0.500000E+00     
S   1
  1      0.933360E-01           1.0000000        
S   1
  1      0.452866E-01           1.0000000        
S   1
  1      0.201620E-01           1.0000000        
P   10
  1      0.783767E+04           0.886835E-04     
  2      0.185706E+04           0.785761E-03     
  3      0.602744E+03           0.449455E-02     
  4      0.230367E+03           0.191434E-01     
  5      0.991436E+02           0.632050E-01     
  6      0.451012E+02           0.169421E+00     
  7      0.214466E+02           0.345467E+00     
  8      0.103473E+02           0.500000E+00     
  9      0.506227E+01           0.419305E+00     
 10      0.244033E+01           0.154814E+00     
P   5
  1      0.371534E+02          -0.478934E-02     
  2      0.132313E+02          -0.269627E-01     
  3      0.216239E+01           0.272275E+00     
  4      0.113552E+01           0.500000E+00     
  5      0.621130E+00           0.525083E+00     
P   1
  1      0.328276E+00           1.0000000        
P   1
  1      0.156980E+00           1.0000000        
P   1
  1      0.523000E-01           1.0000000        
D   3
  1      0.231261E+02           0.303986E-01     
  2      0.641028E+01           0.168927E+00     
  3      0.208332E+01           0.500000E+00     
D   1
  1      0.715861E+00           1.0000000        
D   1
  1      0.226575E+00           1.0000000        
D   1
  1      0.671729E-01           1.0000000        
F   1
  1      0.500000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Sc
data:
SCANDIUM
S   12
  1      0.310070E+07           0.110876E-04     
  2      0.465204E+06           0.859638E-04     
  3      0.106074E+06           0.450806E-03     
  4      0.301031E+05           0.189688E-02     
  5      0.983742E+04           0.686481E-02     
  6      0.355577E+04           0.220558E-01     
  7      0.138870E+04           0.631182E-01     
  8      0.574834E+03           0.159625E+00     
  9      0.248846E+03           0.332258E+00     
 10      0.112461E+03           0.500000E+00     
 11      0.521180E+02           0.439854E+00     
 12      0.240098E+02           0.136799E+00     
S   7
  1      0.100101E+04          -0.988272E-03     
  2      0.309505E+03          -0.990708E-02     
  3      0.120183E+03          -0.433840E-01     
  4      0.528902E+02          -0.920535E-01     
  5      0.117171E+02           0.337380E+00     
  6      0.576463E+01           0.500000E+00     
  7      0.280358E+01           0.217970E+00     
S   4
  1      0.922031E+01          -0.939073E-01     
  2      0.415244E+01          -0.249165E+00     
  3      0.152372E+01           0.352033E+00     
  4      0.749389E+00           0.500000E+00     
S   2
  1      0.830119E+00           0.329127E+00     
  2      0.363689E+00           0.500000E+00     
S   1
  1      0.115804E+00           1.0000000        
S   1
  1      0.544806E-01           1.0000000        
S   1
  1      0.234240E-01           1.0000000        
P   10
  1      0.901973E+04           0.842603E-04     
  2      0.214040E+04           0.744868E-03     
  3      0.695800E+03           0.425651E-02     
  4      0.266575E+03           0.181364E-01     
  5      0.114739E+03           0.606500E-01     
  6      0.522030E+02           0.164269E+00     
  7      0.248530E+02           0.340228E+00     
  8      0.120376E+02           0.500000E+00     
  9      0.592387E+01           0.429585E+00     
 10      0.287436E+01           0.164173E+00     
P   5
  1      0.411010E+02          -0.553975E-02     
  2      0.148741E+02          -0.300504E-01     
  3      0.250337E+01           0.300351E+00     
  4      0.133619E+01           0.500000E+00     
  5      0.779994E+00           0.517555E+00     
P   1
  1      0.420521E+00           1.0000000        
P   1
  1      0.196312E+00           1.0000000        
P   1
  1      0.610000E-01           1.0000000        
D   7
  1      0.138210E+03           0.105080E-02     
  2      0.411336E+02           0.867784E-02     
  3      0.159431E+02           0.360845E-01     
  4      0.720107E+01           0.102756E+00     
  5      0.323343E+01           0.249614E+00     
  6      0.150815E+01           0.405895E+00     
  7      0.697360E+00           0.500000E+00     
D   1
  1      0.307203E+00           1.0000000        
D   1
  1      0.129157E+00           1.0000000        
D   1
  1      0.489267E-01           1.0000000        
F   1
  1      0.397100E+01           1.0000000        
F   1
  1      0.110300E+01           1.0000000        
F   1
  1      0.306000E+00           1.0000000        
G   1
  1      0.264700E+01           1.0000000        
G   1
  1      0.588000E+00           1.0000000        
H   1
  1      0.134100E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ti
data:
TITANIUM
S   12
  1      0.339573E+07           0.111446E-04     
  2      0.509215E+06           0.864691E-04     
  3      0.116048E+06           0.453826E-03     
  4      0.329126E+05           0.191120E-02     
  5      0.107518E+05           0.691627E-02     
  6      0.388741E+04           0.221977E-01     
  7      0.151959E+04           0.634041E-01     
  8      0.629898E+03           0.160028E+00     
  9      0.273120E+03           0.332616E+00     
 10      0.123645E+03           0.500000E+00     
 11      0.574205E+02           0.440182E+00     
 12      0.265110E+02           0.137418E+00     
S   7
  1      0.110206E+04          -0.993974E-03     
  2      0.340753E+03          -0.997845E-02     
  3      0.132260E+03          -0.438556E-01     
  4      0.582697E+02          -0.927378E-01     
  5      0.129745E+02           0.342056E+00     
  6      0.638972E+01           0.500000E+00     
  7      0.311819E+01           0.211513E+00     
S   4
  1      0.103895E+02          -0.877155E-01     
  2      0.481267E+01          -0.231821E+00     
  3      0.163994E+01           0.378125E+00     
  4      0.799868E+00           0.500000E+00     
S   2
  1      0.941409E+00           0.318783E+00     
  2      0.398146E+00           0.500000E+00     
S   1
  1      0.146955E+00           1.0000000        
S   1
  1      0.652933E-01           1.0000000        
S   1
  1      0.270190E-01           1.0000000        
P   10
  1      0.103324E+05           0.802340E-04     
  2      0.244958E+04           0.710671E-03     
  3      0.796259E+03           0.406622E-02     
  4      0.305418E+03           0.173527E-01     
  5      0.131439E+03           0.586201E-01     
  6      0.598505E+02           0.159963E+00     
  7      0.285536E+02           0.335456E+00     
  8      0.138938E+02           0.500000E+00     
  9      0.687776E+01           0.440560E+00     
 10      0.335778E+01           0.174757E+00     
P   5
  1      0.454214E+02          -0.708509E-02     
  2      0.166224E+02          -0.373353E-01     
  3      0.286907E+01           0.366148E+00     
  4      0.159113E+01           0.500000E+00     
  5      0.100477E+01           0.614547E+00     
P   1
  1      0.528659E+00           1.0000000        
P   1
  1      0.239688E+00           1.0000000        
P   1
  1      0.710000E-01           1.0000000        
D   7
  1      0.165036E+03           0.983163E-03     
  2      0.490929E+02           0.828830E-02     
  3      0.189753E+02           0.359549E-01     
  4      0.846339E+01           0.106492E+00     
  5      0.378671E+01           0.259801E+00     
  6      0.175592E+01           0.420518E+00     
  7      0.805574E+00           0.500000E+00     
D   1
  1      0.358987E+00           1.0000000        
D   1
  1      0.153531E+00           1.0000000        
D   1
  1      0.603922E-01           1.0000000        
F   1
  1      0.436800E+01           1.0000000        
F   1
  1      0.121300E+01           1.0000000        
F   1
  1      0.337000E+00           1.0000000        
G   1
  1      0.291200E+01           1.0000000        
G   1
  1      0.647000E+00           1.0000000        
H   1
  1      0.147500E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: V
data:
VANADIUM
S   12
  1      0.372680E+07           0.110898E-04     
  2      0.558334E+06           0.861569E-04     
  3      0.127174E+06           0.452414E-03     
  4      0.360543E+05           0.190620E-02     
  5      0.117735E+05           0.690272E-02     
  6      0.425452E+04           0.221716E-01     
  7      0.166260E+04           0.633323E-01     
  8      0.689179E+03           0.159908E+00     
  9      0.298762E+03           0.332765E+00     
 10      0.135228E+03           0.500000E+00     
 11      0.628684E+02           0.439053E+00     
 12      0.290948E+02           0.137007E+00     
S   7
  1      0.121152E+04          -0.993660E-03     
  2      0.374376E+03          -0.100066E-01     
  3      0.145164E+03          -0.442391E-01     
  4      0.639511E+02          -0.934763E-01     
  5      0.143114E+02           0.345446E+00     
  6      0.705766E+01           0.500000E+00     
  7      0.345452E+01           0.206634E+00     
S   4
  1      0.116053E+02          -0.836582E-01     
  2      0.550642E+01          -0.219883E+00     
  3      0.177446E+01           0.401924E+00     
  4      0.857639E+00           0.500000E+00     
S   2
  1      0.104606E+01           0.308338E+00     
  2      0.429899E+00           0.500000E+00     
S   1
  1      0.178464E+00           1.0000000        
S   1
  1      0.742141E-01           1.0000000        
S   1
  1      0.298169E-01           1.0000000        
P   10
  1      0.117508E+05           0.761999E-04     
  2      0.278652E+04           0.675079E-03     
  3      0.906009E+03           0.386664E-02     
  4      0.347751E+03           0.165525E-01     
  5      0.149434E+03           0.566078E-01     
  6      0.679612E+02           0.156088E+00     
  7      0.324008E+02           0.331659E+00     
  8      0.157903E+02           0.500000E+00     
  9      0.783331E+01           0.447539E+00     
 10      0.383374E+01           0.179950E+00     
P   5
  1      0.497583E+02          -0.836526E-02     
  2      0.184053E+02          -0.426098E-01     
  3      0.327075E+01           0.407121E+00     
  4      0.185003E+01           0.500000E+00     
  5      0.119981E+01           0.695630E+00     
P   1
  1      0.620811E+00           1.0000000        
P   1
  1      0.278004E+00           1.0000000        
P   1
  1      0.810000E-01           1.0000000        
D   7
  1      0.194567E+03           0.930541E-03     
  2      0.579377E+02           0.793990E-02     
  3      0.224673E+02           0.351964E-01     
  4      0.998177E+01           0.107911E+00     
  5      0.447242E+01           0.262854E+00     
  6      0.208352E+01           0.424873E+00     
  7      0.961171E+00           0.500000E+00     
D   1
  1      0.431219E+00           1.0000000        
D   1
  1      0.184866E+00           1.0000000        
D   1
  1      0.725455E-01           1.0000000        
F   1
  1      0.480400E+01           1.0000000        
F   1
  1      0.133500E+01           1.0000000        
F   1
  1      0.371000E+00           1.0000000        
G   1
  1      0.320300E+01           1.0000000        
G   1
  1      0.712000E+00           1.0000000        
H   1
  1      0.162300E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Cr
data:
CHROMIUM
S   12
  1      0.404636E+07           0.111218E-04     
  2      0.607251E+06           0.862279E-04     
  3      0.138402E+06           0.452517E-03     
  4      0.392571E+05           0.190616E-02     
  5      0.128118E+05           0.691388E-02     
  6      0.462725E+04           0.222036E-01     
  7      0.180901E+04           0.633389E-01     
  8      0.750528E+03           0.159775E+00     
  9      0.325592E+03           0.332574E+00     
 10      0.147413E+03           0.500000E+00     
 11      0.685663E+02           0.438565E+00     
 12      0.317737E+02           0.136439E+00     
S   7
  1      0.132461E+04          -0.994409E-03     
  2      0.409551E+03          -0.100310E-01     
  3      0.158686E+03          -0.446041E-01     
  4      0.698910E+02          -0.942107E-01     
  5      0.157421E+02           0.346811E+00     
  6      0.778448E+01           0.500000E+00     
  7      0.382218E+01           0.204281E+00     
S   4
  1      0.127986E+02          -0.829964E-01     
  2      0.616482E+01          -0.212938E+00     
  3      0.196966E+01           0.404027E+00     
  4      0.942565E+00           0.500000E+00     
S   2
  1      0.114913E+01           0.310101E+00     
  2      0.465113E+00           0.500000E+00     
S   1
  1      0.204690E+00           1.0000000        
S   1
  1      0.816261E-01           1.0000000        
S   1
  1      0.321733E-01           1.0000000        
P   10
  1      0.130842E+05           0.742767E-04     
  2      0.310704E+04           0.656926E-03     
  3      0.101088E+04           0.376239E-02     
  4      0.388334E+03           0.161302E-01     
  5      0.166790E+03           0.555451E-01     
  6      0.758239E+02           0.154234E+00     
  7      0.361388E+02           0.330218E+00     
  8      0.176434E+02           0.500000E+00     
  9      0.877653E+01           0.449558E+00     
 10      0.431545E+01           0.181232E+00     
P   5
  1      0.545589E+02          -0.916916E-02     
  2      0.203156E+02          -0.456635E-01     
  3      0.366796E+01           0.443458E+00     
  4      0.204662E+01           0.500000E+00     
  5      0.140325E+01           0.685281E+00     
P   1
  1      0.724129E+00           1.0000000        
P   1
  1      0.320094E+00           1.0000000        
P   1
  1      0.900000E-01           1.0000000        
D   7
  1      0.218477E+03           0.947092E-03     
  2      0.652263E+02           0.811624E-02     
  3      0.252901E+02           0.365582E-01     
  4      0.112281E+02           0.112333E+00     
  5      0.506407E+01           0.270480E+00     
  6      0.236888E+01           0.431385E+00     
  7      0.109599E+01           0.500000E+00     
D   1
  1      0.492473E+00           1.0000000        
D   1
  1      0.210459E+00           1.0000000        
D   1
  1      0.819146E-01           1.0000000        
F   1
  1      0.528500E+01           1.0000000        
F   1
  1      0.146800E+01           1.0000000        
F   1
  1      0.408000E+00           1.0000000        
G   1
  1      0.352300E+01           1.0000000        
G   1
  1      0.783000E+00           1.0000000        
H   1
  1      0.178500E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Mn
data:
MANGANESE
S   12
  1      0.448773E+07           0.108168E-04     
  2      0.671826E+06           0.843577E-04     
  3      0.152308E+06           0.446022E-03     
  4      0.430199E+05           0.188646E-02     
  5      0.140164E+05           0.684447E-02     
  6      0.505882E+04           0.220114E-01     
  7      0.197496E+04           0.629722E-01     
  8      0.818030E+03           0.159270E+00     
  9      0.354401E+03           0.332240E+00     
 10      0.160310E+03           0.500000E+00     
 11      0.745724E+02           0.438143E+00     
 12      0.345987E+02           0.136118E+00     
S   7
  1      0.144474E+04          -0.992336E-03     
  2      0.447053E+03          -0.100046E-01     
  3      0.173147E+03          -0.447735E-01     
  4      0.761984E+02          -0.948448E-01     
  5      0.172140E+02           0.349398E+00     
  6      0.851554E+01           0.500000E+00     
  7      0.418690E+01           0.199573E+00     
S   4
  1      0.140793E+02          -0.824944E-01     
  2      0.689728E+01          -0.208062E+00     
  3      0.214639E+01           0.419056E+00     
  4      0.101894E+01           0.500000E+00     
S   2
  1      0.125259E+01           0.310437E+00     
  2      0.499379E+00           0.500000E+00     
S   1
  1      0.230649E+00           1.0000000        
S   1
  1      0.886711E-01           1.0000000        
S   1
  1      0.343482E-01           1.0000000        
P   10
  1      0.144709E+05           0.731315E-04     
  2      0.343134E+04           0.648405E-03     
  3      0.111617E+04           0.371528E-02     
  4      0.428795E+03           0.159662E-01     
  5      0.184094E+03           0.551706E-01     
  6      0.837944E+02           0.153397E+00     
  7      0.400294E+02           0.329204E+00     
  8      0.196230E+02           0.500000E+00     
  9      0.979706E+01           0.453678E+00     
 10      0.482978E+01           0.184382E+00     
P   5
  1      0.595563E+02          -0.988364E-02     
  2      0.222895E+02          -0.481790E-01     
  3      0.411630E+01           0.458003E+00     
  4      0.230374E+01           0.500000E+00     
  5      0.159285E+01           0.712282E+00     
P   1
  1      0.816247E+00           1.0000000        
P   1
  1      0.358559E+00           1.0000000        
P   1
  1      0.100000E+00           1.0000000        
D   7
  1      0.251812E+03           0.898101E-03     
  2      0.753458E+02           0.774688E-02     
  3      0.292838E+02           0.355546E-01     
  4      0.129653E+02           0.112082E+00     
  5      0.585767E+01           0.270511E+00     
  6      0.274959E+01           0.432849E+00     
  7      0.127702E+01           0.500000E+00     
D   1
  1      0.576386E+00           1.0000000        
D   1
  1      0.246893E+00           1.0000000        
D   1
  1      0.961496E-01           1.0000000        
F   1
  1      0.581300E+01           1.0000000        
F   1
  1      0.161500E+01           1.0000000        
F   1
  1      0.449000E+00           1.0000000        
G   1
  1      0.387600E+01           1.0000000        
G   1
  1      0.861000E+00           1.0000000        
H   1
  1      0.196400E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Fe
data:
IRON
S   12
  1      0.484558E+07           0.108788E-04     
  2      0.726471E+06           0.844138E-04     
  3      0.165609E+06           0.442899E-03     
  4      0.469537E+05           0.186743E-02     
  5      0.153171E+05           0.677937E-02     
  6      0.552445E+04           0.218525E-01     
  7      0.215390E+04           0.626769E-01     
  8      0.890970E+03           0.158837E+00     
  9      0.385952E+03           0.331472E+00     
 10      0.174749E+03           0.500000E+00     
 11      0.813763E+02           0.441364E+00     
 12      0.377707E+02           0.138828E+00     
S   7
  1      0.155768E+04          -0.100742E-02     
  2      0.482614E+03          -0.101288E-01     
  3      0.187148E+03          -0.452271E-01     
  4      0.825644E+02          -0.952342E-01     
  5      0.187822E+02           0.350681E+00     
  6      0.930948E+01           0.500000E+00     
  7      0.458958E+01           0.197703E+00     
S   4
  1      0.154355E+02          -0.842162E-01     
  2      0.766353E+01          -0.210760E+00     
  3      0.235676E+01           0.429632E+00     
  4      0.112133E+01           0.500000E+00     
S   2
  1      0.138403E+01           0.317514E+00     
  2      0.554923E+00           0.500000E+00     
S   1
  1      0.238581E+00           1.0000000        
S   1
  1      0.936178E-01           1.0000000        
S   1
  1      0.363681E-01           1.0000000        
P   10
  1      0.158822E+05           0.718540E-04     
  2      0.376365E+04           0.638040E-03     
  3      0.122308E+04           0.366670E-02     
  4      0.469238E+03           0.158347E-01     
  5      0.200993E+03           0.550647E-01     
  6      0.913532E+02           0.153706E+00     
  7      0.436266E+02           0.329949E+00     
  8      0.214174E+02           0.500000E+00     
  9      0.106998E+02           0.450902E+00     
 10      0.527477E+01           0.179485E+00     
P   5
  1      0.644168E+02          -0.901822E-02     
  2      0.242933E+02          -0.426942E-01     
  3      0.461891E+01           0.387532E+00     
  4      0.257267E+01           0.500000E+00     
  5      0.166639E+01           0.633405E+00     
P   1
  1      0.869621E+00           1.0000000        
P   1
  1      0.387996E+00           1.0000000        
P   1
  1      0.111000E+00           1.0000000        
D   7
  1      0.270856E+03           0.960526E-03     
  2      0.808521E+02           0.835462E-02     
  3      0.312706E+02           0.387892E-01     
  4      0.138028E+02           0.120974E+00     
  5      0.624518E+01           0.286829E+00     
  6      0.291422E+01           0.445944E+00     
  7      0.133917E+01           0.500000E+00     
D   1
  1      0.594986E+00           1.0000000        
D   1
  1      0.250151E+00           1.0000000        
D   1
  1      0.948478E-01           1.0000000        
F   1
  1      0.639500E+01           1.0000000        
F   1
  1      0.177600E+01           1.0000000        
F   1
  1      0.493000E+00           1.0000000        
G   1
  1      0.426300E+01           1.0000000        
G   1
  1      0.947000E+00           1.0000000        
H   1
  1      0.216000E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Co
data:
COBALT
S   12
  1      0.526902E+07           0.107645E-04     
  2      0.789903E+06           0.835604E-04     
  3      0.179923E+06           0.438990E-03     
  4      0.509653E+05           0.185343E-02     
  5      0.166138E+05           0.673112E-02     
  6      0.599438E+04           0.216636E-01     
  7      0.233997E+04           0.620427E-01     
  8      0.968775E+03           0.157416E+00     
  9      0.419539E+03           0.329796E+00     
 10      0.189729E+03           0.500000E+00     
 11      0.882596E+02           0.442937E+00     
 12      0.409609E+02           0.139724E+00     
S   7
  1      0.168869E+04          -0.100449E-02     
  2      0.522640E+03          -0.101364E-01     
  3      0.202495E+03          -0.454561E-01     
  4      0.893258E+02          -0.956977E-01     
  5      0.204136E+02           0.351739E+00     
  6      0.101281E+02           0.500000E+00     
  7      0.500081E+01           0.194855E+00     
S   4
  1      0.168093E+02          -0.899728E-01     
  2      0.842849E+01          -0.221482E+00     
  3      0.261168E+01           0.438369E+00     
  4      0.125832E+01           0.500000E+00     
S   2
  1      0.152769E+01           0.326874E+00     
  2      0.631077E+00           0.500000E+00     
S   1
  1      0.236310E+00           1.0000000        
S   1
  1      0.960068E-01           1.0000000        
S   1
  1      0.376150E-01           1.0000000        
P   10
  1      0.170155E+05           0.731154E-04     
  2      0.403099E+04           0.649325E-03     
  3      0.131034E+04           0.372865E-02     
  4      0.502915E+03           0.160898E-01     
  5      0.215767E+03           0.556722E-01     
  6      0.983449E+02           0.154849E+00     
  7      0.470703E+02           0.331373E+00     
  8      0.231582E+02           0.500000E+00     
  9      0.115685E+02           0.446632E+00     
 10      0.569246E+01           0.172307E+00     
P   5
  1      0.690138E+02          -0.851491E-02     
  2      0.262420E+02          -0.387263E-01     
  3      0.520162E+01           0.324130E+00     
  4      0.289871E+01           0.500000E+00     
  5      0.171763E+01           0.620112E+00     
P   1
  1      0.892253E+00           1.0000000        
P   1
  1      0.406301E+00           1.0000000        
P   1
  1      0.123000E+00           1.0000000        
D   7
  1      0.305523E+03           0.924101E-03     
  2      0.914729E+02           0.805207E-02     
  3      0.355149E+02           0.377456E-01     
  4      0.156612E+02           0.120502E+00     
  5      0.709019E+01           0.285957E+00     
  6      0.331774E+01           0.445644E+00     
  7      0.152810E+01           0.500000E+00     
D   1
  1      0.678926E+00           1.0000000        
D   1
  1      0.285218E+00           1.0000000        
D   1
  1      0.108149E+00           1.0000000        
F   1
  1      0.703400E+01           1.0000000        
F   1
  1      0.195400E+01           1.0000000        
F   1
  1      0.543000E+00           1.0000000        
G   1
  1      0.468900E+01           1.0000000        
G   1
  1      0.104200E+01           1.0000000        
H   1
  1      0.237600E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ni
data:
NICKEL
S   12
  1      0.573724E+07           0.106252E-04     
  2      0.860536E+06           0.823758E-04     
  3      0.196217E+06           0.432149E-03     
  4      0.556257E+05           0.182353E-02     
  5      0.181317E+05           0.662945E-02     
  6      0.653593E+04           0.213855E-01     
  7      0.254722E+04           0.614566E-01     
  8      0.105262E+04           0.156433E+00     
  9      0.455428E+03           0.328436E+00     
 10      0.205952E+03           0.500000E+00     
 11      0.958070E+02           0.446562E+00     
 12      0.444481E+02           0.142500E+00     
S   7
  1      0.180942E+04          -0.101963E-02     
  2      0.560759E+03          -0.102618E-01     
  3      0.217450E+03          -0.459385E-01     
  4      0.961339E+02          -0.960347E-01     
  5      0.221724E+02           0.350415E+00     
  6      0.110411E+02           0.500000E+00     
  7      0.547059E+01           0.195977E+00     
S   4
  1      0.181469E+02          -0.988233E-01     
  2      0.915353E+01          -0.234504E+00     
  3      0.291277E+01           0.442752E+00     
  4      0.142209E+01           0.500000E+00     
S   2
  1      0.166466E+01           0.343682E+00     
  2      0.710271E+00           0.500000E+00     
S   1
  1      0.232075E+00           1.0000000        
S   1
  1      0.966915E-01           1.0000000        
S   1
  1      0.383698E-01           1.0000000        
P   10
  1      0.182567E+05           0.733790E-04     
  2      0.432628E+04           0.651267E-03     
  3      0.140638E+04           0.374242E-02     
  4      0.539286E+03           0.162024E-01     
  5      0.231054E+03           0.561784E-01     
  6      0.105192E+03           0.156590E+00     
  7      0.502708E+02           0.334575E+00     
  8      0.247144E+02           0.500000E+00     
  9      0.123301E+02           0.436790E+00     
 10      0.605879E+01           0.160556E+00     
P   5
  1      0.744108E+02          -0.740793E-02     
  2      0.284170E+02          -0.330124E-01     
  3      0.571086E+01           0.281100E+00     
  4      0.303202E+01           0.500000E+00     
  5      0.168726E+01           0.522750E+00     
P   1
  1      0.890995E+00           1.0000000        
P   1
  1      0.418579E+00           1.0000000        
P   1
  1      0.135000E+00           1.0000000        
D   7
  1      0.334946E+03           0.934419E-03     
  2      0.100369E+03           0.817092E-02     
  3      0.389776E+02           0.386104E-01     
  4      0.171895E+02           0.123563E+00     
  5      0.780751E+01           0.290932E+00     
  6      0.366123E+01           0.449261E+00     
  7      0.168890E+01           0.500000E+00     
D   1
  1      0.750259E+00           1.0000000        
D   1
  1      0.314552E+00           1.0000000        
D   1
  1      0.118876E+00           1.0000000        
F   1
  1      0.773800E+01           1.0000000        
F   1
  1      0.214900E+01           1.0000000        
F   1
  1      0.597000E+00           1.0000000        
G   1
  1      0.515800E+01           1.0000000        
G   1
  1      0.114600E+01           1.0000000        
H   1
  1      0.261400E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Cu
data:
COPPER
S   12
  1      0.615713E+07           0.106292E-04     
  2      0.922927E+06           0.825237E-04     
  3      0.210182E+06           0.433571E-03     
  4      0.595950E+05           0.182581E-02     
  5      0.194689E+05           0.660955E-02     
  6      0.703867E+04           0.212365E-01     
  7      0.275088E+04           0.608627E-01     
  8      0.113885E+04           0.154992E+00     
  9      0.492951E+03           0.326555E+00     
 10      0.222764E+03           0.500000E+00     
 11      0.103530E+03           0.449216E+00     
 12      0.480046E+02           0.144279E+00     
S   7
  1      0.195559E+04          -0.101104E-02     
  2      0.606001E+03          -0.102017E-01     
  3      0.234732E+03          -0.460159E-01     
  4      0.103597E+03          -0.967177E-01     
  5      0.239357E+02           0.351808E+00     
  6      0.119345E+02           0.500000E+00     
  7      0.592558E+01           0.194108E+00     
S   4
  1      0.195339E+02          -0.105156E+00     
  2      0.990548E+01          -0.240761E+00     
  3      0.321504E+01           0.444219E+00     
  4      0.157811E+01           0.500000E+00     
S   2
  1      0.179565E+01           0.358859E+00     
  2      0.778361E+00           0.500000E+00     
S   1
  1      0.236333E+00           1.0000000        
S   1
  1      0.985755E-01           1.0000000        
S   1
  1      0.393585E-01           1.0000000        
P   10
  1      0.191078E+05           0.770861E-04     
  2      0.453544E+04           0.682312E-03     
  3      0.147545E+04           0.391646E-02     
  4      0.565628E+03           0.169648E-01     
  5      0.242428E+03           0.585016E-01     
  6      0.110561E+03           0.161915E+00     
  7      0.529756E+02           0.341375E+00     
  8      0.261718E+02           0.500000E+00     
  9      0.131270E+02           0.427021E+00     
 10      0.648393E+01           0.152352E+00     
P   5
  1      0.801279E+02          -0.741451E-02     
  2      0.306781E+02          -0.325142E-01     
  3      0.627605E+01           0.272064E+00     
  4      0.330780E+01           0.500000E+00     
  5      0.180037E+01           0.520968E+00     
P   1
  1      0.940547E+00           1.0000000        
P   1
  1      0.444417E+00           1.0000000        
P   1
  1      0.146000E+00           1.0000000        
D   7
  1      0.365512E+03           0.942422E-03     
  2      0.109596E+03           0.827109E-02     
  3      0.425638E+02           0.393621E-01     
  4      0.187735E+02           0.126154E+00     
  5      0.855339E+01           0.294924E+00     
  6      0.401759E+01           0.452074E+00     
  7      0.185388E+01           0.500000E+00     
D   1
  1      0.822245E+00           1.0000000        
D   1
  1      0.343304E+00           1.0000000        
D   1
  1      0.128828E+00           1.0000000        
F   1
  1      0.851100E+01           1.0000000        
F   1
  1      0.236400E+01           1.0000000        
F   1
  1      0.657000E+00           1.0000000        
G   1
  1      0.567400E+01           1.0000000        
G   1
  1      0.126100E+01           1.0000000        
H   1
  1      0.287500E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Zn
data:
ZINC
S   12
  1      0.673154E+07           0.103552E-04     
  2      0.100982E+07           0.803521E-04     
  3      0.230066E+06           0.422088E-03     
  4      0.652141E+05           0.177956E-02     
  5      0.212739E+05           0.646304E-02     
  6      0.767082E+04           0.208667E-01     
  7      0.298843E+04           0.601011E-01     
  8      0.123365E+04           0.153709E+00     
  9      0.532975E+03           0.324990E+00     
 10      0.240601E+03           0.500000E+00     
 11      0.111737E+03           0.452483E+00     
 12      0.517718E+02           0.146666E+00     
S   7
  1      0.209567E+04          -0.101586E-02     
  2      0.648831E+03          -0.102657E-01     
  3      0.251375E+03          -0.463039E-01     
  4      0.111068E+03          -0.970300E-01     
  5      0.258134E+02           0.351253E+00     
  6      0.128976E+02           0.500000E+00     
  7      0.641441E+01           0.193763E+00     
S   4
  1      0.209272E+02          -0.110877E+00     
  2      0.106507E+02          -0.242771E+00     
  3      0.352458E+01           0.445271E+00     
  4      0.172826E+01           0.500000E+00     
S   2
  1      0.192188E+01           0.375456E+00     
  2      0.840326E+00           0.500000E+00     
S   1
  1      0.243868E+00           1.0000000        
S   1
  1      0.101124E+00           1.0000000        
S   1
  1      0.403831E-01           1.0000000        
P   10
  1      0.199429E+05           0.806270E-04     
  2      0.472572E+04           0.715357E-03     
  3      0.153538E+04           0.411264E-02     
  4      0.587676E+03           0.178457E-01     
  5      0.251835E+03           0.611261E-01     
  6      0.115041E+03           0.167699E+00     
  7      0.552094E+02           0.349029E+00     
  8      0.273179E+02           0.500000E+00     
  9      0.137164E+02           0.411178E+00     
 10      0.678697E+01           0.137444E+00     
P   5
  1      0.865552E+02          -0.692561E-02     
  2      0.331584E+02          -0.302575E-01     
  3      0.680198E+01           0.259616E+00     
  4      0.347762E+01           0.500000E+00     
  5      0.181165E+01           0.489253E+00     
P   1
  1      0.932388E+00           1.0000000        
P   1
  1      0.447898E+00           1.0000000        
P   1
  1      0.158000E+00           1.0000000        
D   7
  1      0.397493E+03           0.949830E-03     
  2      0.119207E+03           0.837130E-02     
  3      0.462785E+02           0.401425E-01     
  4      0.204095E+02           0.128739E+00     
  5      0.932368E+01           0.299231E+00     
  6      0.438495E+01           0.455320E+00     
  7      0.202512E+01           0.500000E+00     
D   1
  1      0.898577E+00           1.0000000        
D   1
  1      0.375013E+00           1.0000000        
D   1
  1      0.140611E+00           1.0000000        
F   1
  1      0.936300E+01           1.0000000        
F   1
  1      0.260100E+01           1.0000000        
F   1
  1      0.722000E+00           1.0000000        
G   1
  1      0.624200E+01           1.0000000        
G   1
  1      0.138700E+01           1.0000000        
H   1
  1      0.316200E+01           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ga
data:
GALLIUM
S   12
  1      0.722277E+07           0.103191E-04     
  2      0.108284E+07           0.801101E-04     
  3      0.246697E+06           0.420531E-03     
  4      0.699637E+05           0.177139E-02     
  5      0.228477E+05           0.641971E-02     
  6      0.825251E+04           0.206813E-01     
  7      0.321823E+04           0.596039E-01     
  8      0.132822E+04           0.152764E+00     
  9      0.573616E+03           0.323735E+00     
 10      0.258890E+03           0.500000E+00     
 11      0.120218E+03           0.455269E+00     
 12      0.557046E+02           0.149024E+00     
S   7
  1      0.222498E+04          -0.103511E-02     
  2      0.689730E+03          -0.104317E-01     
  3      0.267421E+03          -0.469204E-01     
  4      0.118440E+03          -0.973626E-01     
  5      0.278652E+02           0.347518E+00     
  6      0.140072E+02           0.500000E+00     
  7      0.700619E+01           0.198934E+00     
S   4
  1      0.225453E+02          -0.115135E+00     
  2      0.115772E+02          -0.250424E+00     
  3      0.379660E+01           0.457608E+00     
  4      0.188925E+01           0.500000E+00     
S   2
  1      0.211757E+01           0.375880E+00     
  2      0.948309E+00           0.500000E+00     
S   1
  1      0.308220E+00           1.0000000        
S   1
  1      0.135177E+00           1.0000000        
S   1
  1      0.556939E-01           1.0000000        
P   10
  1      0.201250E+05           0.879443E-04     
  2      0.478578E+04           0.775295E-03     
  3      0.155795E+04           0.444067E-02     
  4      0.596159E+03           0.192728E-01     
  5      0.255273E+03           0.654911E-01     
  6      0.116630E+03           0.177619E+00     
  7      0.559473E+02           0.362186E+00     
  8      0.276373E+02           0.500000E+00     
  9      0.138229E+02           0.382966E+00     
 10      0.679906E+01           0.111602E+00     
P   5
  1      0.944808E+02          -0.597155E-02     
  2      0.360961E+02          -0.266896E-01     
  3      0.723120E+01           0.248301E+00     
  4      0.350256E+01           0.500000E+00     
  5      0.166556E+01           0.504810E+00     
P   2
  1      0.159015E+01          -0.179163E+00     
  2      0.773070E+00           0.500000E+00     
P   1
  1      0.258033E+00           1.0000000        
P   1
  1      0.933153E-01           1.0000000        
P   1
  1      0.322439E-01           1.0000000        
D   8
  1      0.503175E+03           0.689049E-03     
  2      0.152082E+03           0.611447E-02     
  3      0.594059E+02           0.306716E-01     
  4      0.259333E+02           0.108393E+00     
  5      0.117866E+02           0.265160E+00     
  6      0.559034E+01           0.433339E+00     
  7      0.262119E+01           0.500000E+00     
  8      0.119118E+01           0.432112E+00     
D   1
  1      0.514567E+00           1.0000000        
D   1
  1      0.203182E+00           1.0000000        
D   1
  1      0.810000E-01           1.0000000        
F   1
  1      0.116000E+01           1.0000000        
F   1
  1      0.290000E+00           1.0000000        
G   1
  1      0.440000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Ge
data:
GERMANIUM
S   12
  1      0.759354E+07           0.105136E-04     
  2      0.113981E+07           0.814871E-04     
  3      0.259786E+06           0.427807E-03     
  4      0.736684E+05           0.180226E-02     
  5      0.240583E+05           0.653012E-02     
  6      0.869060E+04           0.210259E-01     
  7      0.339151E+04           0.604455E-01     
  8      0.140223E+04           0.154268E+00     
  9      0.607184E+03           0.325249E+00     
 10      0.274875E+03           0.500000E+00     
 11      0.128018E+03           0.454278E+00     
 12      0.594688E+02           0.148859E+00     
S   7
  1      0.235034E+04          -0.105631E-02     
  2      0.729839E+03          -0.105786E-01     
  3      0.283681E+03          -0.472228E-01     
  4      0.126117E+03          -0.970558E-01     
  5      0.298946E+02           0.346353E+00     
  6      0.150252E+02           0.500000E+00     
  7      0.751345E+01           0.196353E+00     
S   4
  1      0.241603E+02          -0.116153E+00     
  2      0.125012E+02          -0.248005E+00     
  3      0.406707E+01           0.459715E+00     
  4      0.203005E+01           0.500000E+00     
S   2
  1      0.233130E+01           0.379662E+00     
  2      0.104977E+01           0.500000E+00     
S   1
  1      0.389228E+00           1.0000000        
S   1
  1      0.174626E+00           1.0000000        
S   1
  1      0.722863E-01           1.0000000        
P   10
  1      0.218714E+05           0.855527E-04     
  2      0.520561E+04           0.753301E-03     
  3      0.169546E+04           0.431451E-02     
  4      0.649409E+03           0.187225E-01     
  5      0.278198E+03           0.639163E-01     
  6      0.127098E+03           0.174460E+00     
  7      0.609315E+02           0.359278E+00     
  8      0.300977E+02           0.500000E+00     
  9      0.150752E+02           0.387062E+00     
 10      0.743523E+01           0.115081E+00     
P   5
  1      0.101263E+03          -0.605465E-02     
  2      0.387370E+02          -0.269023E-01     
  3      0.785222E+01           0.246406E+00     
  4      0.380866E+01           0.500000E+00     
  5      0.185284E+01           0.489107E+00     
P   2
  1      0.203076E+01          -0.161381E+00     
  2      0.861619E+00           0.500000E+00     
P   1
  1      0.320820E+00           1.0000000        
P   1
  1      0.123087E+00           1.0000000        
P   1
  1      0.445203E-01           1.0000000        
D   8
  1      0.589581E+03           0.589195E-03     
  2      0.178701E+03           0.527235E-02     
  3      0.697794E+02           0.272735E-01     
  4      0.303259E+02           0.100157E+00     
  5      0.138378E+02           0.249382E+00     
  6      0.662072E+01           0.422146E+00     
  7      0.314467E+01           0.500000E+00     
  8      0.145774E+01           0.431954E+00     
D   1
  1      0.646573E+00           1.0000000        
D   1
  1      0.264297E+00           1.0000000        
D   1
  1      0.104000E+00           1.0000000        
F   1
  1      0.128000E+01           1.0000000        
F   1
  1      0.320000E+00           1.0000000        
G   1
  1      0.480000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: As
data:
ARSENIC
S   12
  1      0.805593E+07           0.105460E-04     
  2      0.120684E+07           0.819307E-04     
  3      0.274718E+06           0.430693E-03     
  4      0.778688E+05           0.181431E-02     
  5      0.254328E+05           0.657111E-02     
  6      0.918878E+04           0.211483E-01     
  7      0.358821E+04           0.606807E-01     
  8      0.148542E+04           0.154575E+00     
  9      0.643640E+03           0.325818E+00     
 10      0.291411E+03           0.500000E+00     
 11      0.135832E+03           0.452061E+00     
 12      0.632162E+02           0.147361E+00     
S   7
  1      0.254051E+04          -0.102662E-02     
  2      0.787829E+03          -0.103666E-01     
  3      0.305260E+03          -0.470024E-01     
  4      0.135021E+03          -0.980746E-01     
  5      0.319048E+02           0.348402E+00     
  6      0.160535E+02           0.500000E+00     
  7      0.803590E+01           0.194832E+00     
S   4
  1      0.259365E+02          -0.989264E-01     
  2      0.135837E+02          -0.210907E+00     
  3      0.421876E+01           0.434955E+00     
  4      0.207546E+01           0.500000E+00     
S   2
  1      0.255595E+01           0.335478E+00     
  2      0.108840E+01           0.500000E+00     
S   1
  1      0.528697E+00           1.0000000        
S   1
  1      0.225851E+00           1.0000000        
S   1
  1      0.915011E-01           1.0000000        
P   10
  1      0.238314E+05           0.828760E-04     
  2      0.565967E+04           0.732818E-03     
  3      0.184073E+04           0.421025E-02     
  4      0.704211E+03           0.183430E-01     
  5      0.301338E+03           0.629174E-01     
  6      0.137682E+03           0.172302E+00     
  7      0.660416E+02           0.357082E+00     
  8      0.326690E+02           0.500000E+00     
  9      0.164085E+02           0.391655E+00     
 10      0.812140E+01           0.119358E+00     
P   5
  1      0.108840E+03          -0.591378E-02     
  2      0.416086E+02          -0.263897E-01     
  3      0.846315E+01           0.241693E+00     
  4      0.407807E+01           0.500000E+00     
  5      0.201217E+01           0.450045E+00     
P   2
  1      0.264565E+01          -0.154306E+00     
  2      0.941543E+00           0.500000E+00     
P   1
  1      0.389328E+00           1.0000000        
P   1
  1      0.154784E+00           1.0000000        
P   1
  1      0.574573E-01           1.0000000        
D   8
  1      0.721795E+03           0.464130E-03     
  2      0.219039E+03           0.423404E-02     
  3      0.851186E+02           0.229979E-01     
  4      0.367466E+02           0.884714E-01     
  5      0.169330E+02           0.224634E+00     
  6      0.822780E+01           0.402069E+00     
  7      0.399834E+01           0.500000E+00     
  8      0.191302E+01           0.451532E+00     
D   1
  1      0.880368E+00           1.0000000        
D   1
  1      0.374480E+00           1.0000000        
D   1
  1      0.110000E+00           1.0000000        
F   1
  1      0.141000E+01           1.0000000        
F   1
  1      0.350000E+00           1.0000000        
G   1
  1      0.530000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Se
data:
SELENIUM
S   12
  1      0.860600E+07           0.104913E-04     
  2      0.128973E+07           0.814731E-04     
  3      0.293773E+06           0.427840E-03     
  4      0.832790E+05           0.180380E-02     
  5      0.271773E+05           0.654115E-02     
  6      0.982099E+04           0.210139E-01     
  7      0.384052E+04           0.601930E-01     
  8      0.159112E+04           0.153551E+00     
  9      0.689469E+03           0.324487E+00     
 10      0.312206E+03           0.500000E+00     
 11      0.145568E+03           0.455811E+00     
 12      0.677520E+02           0.150877E+00     
S   7
  1      0.270149E+04          -0.102941E-02     
  2      0.837677E+03          -0.104024E-01     
  3      0.324465E+03          -0.472588E-01     
  4      0.143568E+03          -0.984905E-01     
  5      0.340486E+02           0.348911E+00     
  6      0.171712E+02           0.500000E+00     
  7      0.864286E+01           0.195115E+00     
S   4
  1      0.276146E+02          -0.119901E+00     
  2      0.144789E+02          -0.250363E+00     
  3      0.463221E+01           0.475777E+00     
  4      0.234088E+01           0.500000E+00     
S   2
  1      0.280428E+01           0.395662E+00     
  2      0.128023E+01           0.500000E+00     
S   1
  1      0.551124E+00           1.0000000        
S   1
  1      0.252132E+00           1.0000000        
S   1
  1      0.105146E+00           1.0000000        
P   10
  1      0.251629E+05           0.836626E-04     
  2      0.596904E+04           0.741563E-03     
  3      0.193999E+04           0.426261E-02     
  4      0.742220E+03           0.185655E-01     
  5      0.317632E+03           0.636212E-01     
  6      0.145195E+03           0.173817E+00     
  7      0.696821E+02           0.359253E+00     
  8      0.344406E+02           0.500000E+00     
  9      0.172750E+02           0.383496E+00     
 10      0.855729E+01           0.112059E+00     
P   5
  1      0.118418E+03          -0.546099E-02     
  2      0.450504E+02          -0.251810E-01     
  3      0.896661E+01           0.242125E+00     
  4      0.421912E+01           0.500000E+00     
  5      0.198355E+01           0.391702E+00     
P   2
  1      0.325130E+01          -0.795068E-01     
  2      0.870890E+00           0.500000E+00     
P   1
  1      0.403734E+00           1.0000000        
P   1
  1      0.164488E+00           1.0000000        
P   1
  1      0.622449E-01           1.0000000        
D   8
  1      0.761951E+03           0.475920E-03     
  2      0.231621E+03           0.432733E-02     
  3      0.901954E+02           0.233940E-01     
  4      0.390434E+02           0.896857E-01     
  5      0.179622E+02           0.229150E+00     
  6      0.868350E+01           0.407464E+00     
  7      0.418732E+01           0.500000E+00     
  8      0.198899E+01           0.426198E+00     
D   1
  1      0.910643E+00           1.0000000        
D   1
  1      0.385398E+00           1.0000000        
D   1
  1      0.152000E+00           1.0000000        
F   1
  1      0.155000E+01           1.0000000        
F   1
  1      0.390000E+00           1.0000000        
G   1
  1      0.580000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Br
data:
BROMINE
S   12
  1      0.918818E+07           0.104008E-04     
  2      0.137491E+07           0.809392E-04     
  3      0.312821E+06           0.425654E-03     
  4      0.886093E+05           0.179554E-02     
  5      0.289110E+05           0.651262E-02     
  6      0.104397E+05           0.209635E-01     
  7      0.407745E+04           0.601338E-01     
  8      0.168887E+04           0.153254E+00     
  9      0.732327E+03           0.323775E+00     
 10      0.331666E+03           0.500000E+00     
 11      0.154583E+03           0.456434E+00     
 12      0.719586E+02           0.150988E+00     
S   7
  1      0.286322E+04          -0.103429E-02     
  2      0.888596E+03          -0.104327E-01     
  3      0.344489E+03          -0.474142E-01     
  4      0.152462E+03          -0.989551E-01     
  5      0.362935E+02           0.348181E+00     
  6      0.183660E+02           0.500000E+00     
  7      0.928948E+01           0.196628E+00     
S   4
  1      0.290632E+02          -0.143106E+00     
  2      0.151202E+02          -0.280402E+00     
  3      0.517278E+01           0.482272E+00     
  4      0.264955E+01           0.500000E+00     
S   2
  1      0.305412E+01           0.449227E+00     
  2      0.143983E+01           0.500000E+00     
S   1
  1      0.581995E+00           1.0000000        
S   1
  1      0.269971E+00           1.0000000        
S   1
  1      0.115509E+00           1.0000000        
P   10
  1      0.268306E+05           0.824562E-04     
  2      0.637094E+04           0.729371E-03     
  3      0.207202E+04           0.419150E-02     
  4      0.792832E+03           0.182815E-01     
  5      0.339013E+03           0.629212E-01     
  6      0.154696E+03           0.172919E+00     
  7      0.740062E+02           0.359806E+00     
  8      0.364273E+02           0.500000E+00     
  9      0.182111E+02           0.376433E+00     
 10      0.902035E+01           0.105610E+00     
P   5
  1      0.126832E+03          -0.541286E-02     
  2      0.482160E+02          -0.251351E-01     
  3      0.960694E+01           0.242311E+00     
  4      0.451046E+01           0.500000E+00     
  5      0.210436E+01           0.376261E+00     
P   2
  1      0.385881E+01          -0.582590E-01     
  2      0.897535E+00           0.500000E+00     
P   1
  1      0.428395E+00           1.0000000        
P   1
  1      0.180059E+00           1.0000000        
P   1
  1      0.704069E-01           1.0000000        
D   8
  1      0.826525E+03           0.468845E-03     
  2      0.251182E+03           0.428388E-02     
  3      0.978146E+02           0.232652E-01     
  4      0.424260E+02           0.893287E-01     
  5      0.195905E+02           0.228711E+00     
  6      0.951052E+01           0.407252E+00     
  7      0.461436E+01           0.500000E+00     
  8      0.221047E+01           0.417272E+00     
D   1
  1      0.102016E+01           1.0000000        
D   1
  1      0.430163E+00           1.0000000        
D   1
  1      0.167000E+00           1.0000000        
F   1
  1      0.170000E+01           1.0000000        
F   1
  1      0.430000E+00           1.0000000        
G   1
  1      0.640000E+00           1.0000000


name: pcseg-3
description: Polarized Valence Quadruple Zeta, DFT Optimized
elt: Kr
data:
KRYPTON
S   12
  1      0.974336E+07           0.103716E-04     
  2      0.146000E+07           0.805813E-04     
  3      0.332501E+06           0.423172E-03     
  4      0.942637E+05           0.178347E-02     
  5      0.307831E+05           0.646032E-02     
  6      0.111227E+05           0.207964E-01     
  7      0.434250E+04           0.597798E-01     
  8      0.179625E+04           0.152802E+00     
  9      0.777844E+03           0.323477E+00     
 10      0.352081E+03           0.500000E+00     
 11      0.164153E+03           0.457267E+00     
 12      0.764657E+02           0.152073E+00     
S   7
  1      0.304273E+04          -0.103269E-02     
  2      0.943017E+03          -0.104616E-01     
  3      0.365092E+03          -0.477356E-01     
  4      0.161498E+03          -0.995753E-01     
  5      0.386687E+02           0.346385E+00     
  6      0.196718E+02           0.500000E+00     
  7      0.100159E+02           0.200907E+00     
S   4
  1      0.307602E+02          -0.162625E+00     
  2      0.159635E+02          -0.309807E+00     
  3      0.564568E+01           0.504110E+00     
  4      0.291997E+01           0.500000E+00     
S   2
  1      0.332009E+01           0.488162E+00     
  2      0.159659E+01           0.500000E+00     
S   1
  1      0.634150E+00           1.0000000        
S   1
  1      0.291744E+00           1.0000000        
S   1
  1      0.125748E+00           1.0000000        
P   10
  1      0.285806E+05           0.824524E-04     
  2      0.675666E+04           0.735338E-03     
  3      0.219094E+04           0.424356E-02     
  4      0.837363E+03           0.185207E-01     
  5      0.358354E+03           0.634997E-01     
  6      0.164032E+03           0.173463E+00     
  7      0.787666E+02           0.359951E+00     
  8      0.389152E+02           0.500000E+00     
  9      0.195260E+02           0.378390E+00     
 10      0.969946E+01           0.107400E+00     
P   5
  1      0.134948E+03          -0.546149E-02     
  2      0.513355E+02          -0.253288E-01     
  3      0.103147E+02           0.241404E+00     
  4      0.486035E+01           0.500000E+00     
  5      0.227496E+01           0.369230E+00     
P   2
  1      0.442613E+01          -0.507336E-01     
  2      0.965705E+00           0.500000E+00     
P   1
  1      0.461827E+00           1.0000000        
P   1
  1      0.198284E+00           1.0000000        
P   1
  1      0.796112E-01           1.0000000        
D   8
  1      0.100283E+04           0.375144E-03     
  2      0.306466E+03           0.346053E-02     
  3      0.119129E+03           0.195056E-01     
  4      0.517036E+02           0.769949E-01     
  5      0.243211E+02           0.200255E+00     
  6      0.120430E+02           0.380901E+00     
  7      0.600675E+01           0.500000E+00     
  8      0.298139E+01           0.460763E+00     
D   1
  1      0.143150E+01           1.0000000        
D   1
  1      0.639766E+00           1.0000000        
D   1
  1      0.257000E+00           1.0000000        
F   1
  1      0.187000E+01           1.0000000        
F   1
  1      0.470000E+00           1.0000000        
G   1
  1      0.700000E+00           1.0000000


