# all_value

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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: H
data:
HYDROGEN
S   7
  1      0.300996D+04           0.994949D-04     
  2      0.451373D+03           0.772617D-03     
  3      0.102806D+03           0.405930D-02     
  4      0.291474D+02           0.170977D-01     
  5      0.952878D+01           0.615690D-01     
  6      0.345638D+01           0.192015D+00     
  7      0.135638D+01           0.500000D+00     
S   1
  1      0.561300D+00           1.0000000        
S   1
  1      0.241026D+00           1.0000000        
S   1
  1      0.104273D+00           1.0000000        
S   1
  1      0.439734D-01           1.0000000        
P   1
  1      0.300000D+02           1.0000000        
P   1
  1      0.660000D+01           1.0000000        
P   1
  1      0.210000D+01           1.0000000        
P   1
  1      0.950000D+00           1.0000000        
P   1
  1      0.450000D+00           1.0000000        
P   1
  1      0.150000D+00           1.0000000        
D   1
  1      0.210000D+01           1.0000000        
D   1
  1      0.700000D+00           1.0000000        
D   1
  1      0.300000D+00           1.0000000        
F   1
  1      0.250000D+01           1.0000000        
F   1
  1      0.900000D+00           1.0000000        
G   1
  1      0.320000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: He
data:
HELIUM
S   7
  1      0.877224D+04           0.112016D-03     
  2      0.131420D+04           0.870431D-03     
  3      0.299180D+03           0.456768D-02     
  4      0.847866D+02           0.191446D-01     
  5      0.276895D+02           0.679676D-01     
  6      0.100123D+02           0.204755D+00     
  7      0.389571D+01           0.500000D+00     
S   1
  1      0.158365D+01           1.0000000        
S   1
  1      0.657655D+00           1.0000000        
S   1
  1      0.264806D+00           1.0000000        
S   1
  1      0.105914D+00           1.0000000        
P   1
  1      0.405000D+02           1.0000000        
P   1
  1      0.890000D+01           1.0000000        
P   1
  1      0.285000D+01           1.0000000        
P   1
  1      0.130000D+01           1.0000000        
P   1
  1      0.600000D+00           1.0000000        
P   1
  1      0.200000D+00           1.0000000        
D   1
  1      0.370000D+01           1.0000000        
D   1
  1      0.120000D+01           1.0000000        
D   1
  1      0.500000D+00           1.0000000        
F   1
  1      0.410000D+01           1.0000000        
F   1
  1      0.150000D+01           1.0000000        
G   1
  1      0.465000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Li
data:
LITHIUM
S   12
  1      0.884669D+05           0.125450D-04     
  2      0.132495D+05           0.975394D-04     
  3      0.301504D+04           0.513045D-03     
  4      0.854032D+03           0.216538D-02     
  5      0.278704D+03           0.786351D-02     
  6      0.100686D+03           0.253659D-01     
  7      0.394087D+02           0.719619D-01     
  8      0.164879D+02           0.181504D+00     
  9      0.734787D+01           0.348588D+00     
 10      0.359135D+01           0.532900D+00     
 11      0.195301D+01           0.500000D+00     
 12      0.101030D+01           0.770000D+00     
S   4
  1      0.377262D+02           0.102727D-02     
  2      0.778069D+01           0.171265D-01     
  3      0.195505D+01           0.158407D+00     
  4      0.481626D+00           0.500000D+00     
S   1
  1      0.229140D+00           1.0000000        
S   1
  1      0.932706D-01           1.0000000        
S   1
  1      0.417901D-01           1.0000000        
S   1
  1      0.179044D-01           1.0000000        
P   5
  1      0.291378D+02           0.174429D-02     
  2      0.677082D+01           0.135730D-01     
  3      0.197116D+01           0.711501D-01     
  4      0.653531D+00           0.201363D+00     
  5      0.258316D+00           0.500000D+00     
P   1
  1      0.105819D+00           1.0000000        
P   1
  1      0.431498D-01           1.0000000        
P   1
  1      0.165491D-01           1.0000000        
D   1
  1      0.175000D+01           1.0000000        
D   1
  1      0.300000D+00           1.0000000        
D   1
  1      0.110000D+00           1.0000000        
F   1
  1      0.500000D+00           1.0000000        
F   1
  1      0.200000D+00           1.0000000        
G   1
  1      0.550000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Be
data:
BERYLLIUM
S   12
  1      0.242387D+06           0.671218D-05     
  2      0.363406D+05           0.520966D-04     
  3      0.828251D+04           0.273398D-03     
  4      0.235049D+04           0.115170D-02     
  5      0.768341D+03           0.418157D-02     
  6      0.277860D+03           0.135649D-01     
  7      0.108503D+03           0.399140D-01     
  8      0.450030D+02           0.104239D+00     
  9      0.196716D+02           0.241942D+00     
 10      0.877289D+01           0.442318D+00     
 11      0.455897D+01           0.500000D+00     
 12      0.212678D+01           0.715523D+00     
S   4
  1      0.467790D+02           0.167625D-02     
  2      0.120719D+02           0.254590D-01     
  3      0.347695D+01           0.199557D+00     
  4      0.102619D+01           0.500000D+00     
S   1
  1      0.480281D+00           1.0000000        
S   1
  1      0.195855D+00           1.0000000        
S   1
  1      0.821252D-01           1.0000000        
S   1
  1      0.340092D-01           1.0000000        
P   5
  1      0.447721D+02           0.173722D-02     
  2      0.104671D+02           0.135661D-01     
  3      0.311028D+01           0.704636D-01     
  4      0.104755D+01           0.206665D+00     
  5      0.413337D+00           0.500000D+00     
P   1
  1      0.168212D+00           1.0000000        
P   1
  1      0.675834D-01           1.0000000        
P   1
  1      0.255653D-01           1.0000000        
D   1
  1      0.335000D+01           1.0000000        
D   1
  1      0.570000D+00           1.0000000        
D   1
  1      0.210000D+00           1.0000000        
F   1
  1      0.750000D+00           1.0000000        
F   1
  1      0.300000D+00           1.0000000        
G   1
  1      0.800000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: B
data:
BORON
S   12
  1      0.432161D+06           0.545386D-05     
  2      0.649530D+05           0.421889D-04     
  3      0.148254D+05           0.221125D-03     
  4      0.420988D+04           0.931265D-03     
  5      0.137637D+04           0.338272D-02     
  6      0.497923D+03           0.109725D-01     
  7      0.194812D+03           0.322387D-01     
  8      0.814167D+02           0.842943D-01     
  9      0.355115D+02           0.200592D+00     
 10      0.163145D+02           0.354518D+00     
 11      0.833424D+01           0.500000D+00     
 12      0.378189D+01           0.664912D+00     
S   4
  1      0.603010D+02           0.256607D-02     
  2      0.178042D+02           0.292357D-01     
  3      0.583388D+01           0.193257D+00     
  4      0.187876D+01           0.500000D+00     
S   1
  1      0.922869D+00           1.0000000        
S   1
  1      0.352789D+00           1.0000000        
S   1
  1      0.143448D+00           1.0000000        
S   1
  1      0.580750D-01           1.0000000        
P   7
  1      0.227013D+03           0.250211D-03     
  2      0.538077D+02           0.215948D-02     
  3      0.170458D+02           0.120450D-01     
  4      0.602063D+01           0.507921D-01     
  5      0.262812D+01           0.109064D+00     
  6      0.120656D+01           0.274524D+00     
  7      0.574525D+00           0.500000D+00     
P   1
  1      0.275979D+00           1.0000000        
P   1
  1      0.129688D+00           1.0000000        
P   1
  1      0.600059D-01           1.0000000        
P   1
  1      0.263074D-01           1.0000000        
D   1
  1      0.530000D+01           1.0000000        
D   1
  1      0.190000D+01           1.0000000        
D   1
  1      0.750000D+00           1.0000000        
D   1
  1      0.350000D+00           1.0000000        
D   1
  1      0.160000D+00           1.0000000        
D   1
  1      0.600000D-01           1.0000000        
F   1
  1      0.190000D+01           1.0000000        
F   1
  1      0.800000D+00           1.0000000        
F   1
  1      0.350000D+00           1.0000000        
G   1
  1      0.165000D+01           1.0000000        
G   1
  1      0.700000D+00           1.0000000        
H   1
  1      0.175000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: C
data:
CARBON
S   12
  1      0.713988D+06           0.405120D-05     
  2      0.107119D+06           0.314303D-04     
  3      0.244063D+05           0.165102D-03     
  4      0.692100D+04           0.696477D-03     
  5      0.226076D+04           0.253267D-02     
  6      0.817208D+03           0.823653D-02     
  7      0.319054D+03           0.243918D-01     
  8      0.132447D+03           0.657916D-01     
  9      0.578170D+02           0.152023D+00     
 10      0.267182D+02           0.301922D+00     
 11      0.123637D+02           0.500000D+00     
 12      0.546363D+01           0.540822D+00     
S   4
  1      0.594006D+02           0.631685D-02     
  2      0.189467D+02           0.512142D-01     
  3      0.742270D+01           0.216146D+00     
  4      0.272239D+01           0.500000D+00     
S   1
  1      0.131261D+01           1.0000000        
S   1
  1      0.515235D+00           1.0000000        
S   1
  1      0.209159D+00           1.0000000        
S   1
  1      0.837574D-01           1.0000000        
P   7
  1      0.379171D+03           0.215905D-03     
  2      0.897598D+02           0.188104D-02     
  3      0.286625D+02           0.105455D-01     
  4      0.103114D+02           0.447773D-01     
  5      0.445074D+01           0.109406D+00     
  6      0.200750D+01           0.273619D+00     
  7      0.943558D+00           0.500000D+00     
P   1
  1      0.445090D+00           1.0000000        
P   1
  1      0.206068D+00           1.0000000        
P   1
  1      0.944742D-01           1.0000000        
P   1
  1      0.407250D-01           1.0000000        
D   1
  1      0.840000D+01           1.0000000        
D   1
  1      0.300000D+01           1.0000000        
D   1
  1      0.120000D+01           1.0000000        
D   1
  1      0.550000D+00           1.0000000        
D   1
  1      0.250000D+00           1.0000000        
D   1
  1      0.100000D+00           1.0000000        
F   1
  1      0.210000D+01           1.0000000        
F   1
  1      0.900000D+00           1.0000000        
F   1
  1      0.400000D+00           1.0000000        
G   1
  1      0.210000D+01           1.0000000        
G   1
  1      0.900000D+00           1.0000000        
H   1
  1      0.185000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: N
data:
NITROGEN
S   12
  1      0.857271D+06           0.442448D-05     
  2      0.128455D+06           0.343751D-04     
  3      0.292622D+05           0.180530D-03     
  4      0.829780D+04           0.761488D-03     
  5      0.271094D+04           0.276668D-02     
  6      0.980292D+03           0.898437D-02     
  7      0.382847D+03           0.265339D-01     
  8      0.158978D+03           0.711280D-01     
  9      0.696308D+02           0.160579D+00     
 10      0.319728D+02           0.322493D+00     
 11      0.145060D+02           0.500000D+00     
 12      0.658672D+01           0.426567D+00     
S   4
  1      0.661063D+02           0.116808D-01     
  2      0.205880D+02           0.952102D-01     
  3      0.819692D+01           0.300172D+00     
  4      0.337474D+01           0.500000D+00     
S   1
  1      0.165218D+01           1.0000000        
S   1
  1      0.672072D+00           1.0000000        
S   1
  1      0.275511D+00           1.0000000        
S   1
  1      0.110252D+00           1.0000000        
P   7
  1      0.570352D+03           0.194221D-03     
  2      0.135139D+03           0.169656D-02     
  3      0.433118D+02           0.958423D-02     
  4      0.156814D+02           0.415265D-01     
  5      0.666430D+01           0.109770D+00     
  6      0.298248D+01           0.274246D+00     
  7      0.139060D+01           0.500000D+00     
P   1
  1      0.650502D+00           1.0000000        
P   1
  1      0.300699D+00           1.0000000        
P   1
  1      0.136515D+00           1.0000000        
P   1
  1      0.579684D-01           1.0000000        
D   1
  1      0.128000D+02           1.0000000        
D   1
  1      0.440000D+01           1.0000000        
D   1
  1      0.175000D+01           1.0000000        
D   1
  1      0.800000D+00           1.0000000        
D   1
  1      0.370000D+00           1.0000000        
D   1
  1      0.150000D+00           1.0000000        
F   1
  1      0.230000D+01           1.0000000        
F   1
  1      0.100000D+01           1.0000000        
F   1
  1      0.450000D+00           1.0000000        
G   1
  1      0.255000D+01           1.0000000        
G   1
  1      0.110000D+01           1.0000000        
H   1
  1      0.195000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: O
data:
OXYGEN
S   12
  1      0.114221D+07           0.429557D-05     
  2      0.171021D+06           0.334038D-04     
  3      0.389250D+05           0.175666D-03     
  4      0.110291D+05           0.741674D-03     
  5      0.360056D+04           0.269786D-02     
  6      0.130100D+04           0.876803D-02     
  7      0.508049D+03           0.258859D-01     
  8      0.211087D+03           0.694093D-01     
  9      0.927409D+02           0.154637D+00     
 10      0.422504D+02           0.324258D+00     
 11      0.183876D+02           0.500000D+00     
 12      0.834627D+01           0.309809D+00     
S   4
  1      0.841167D+02           0.174688D-01     
  2      0.253595D+02           0.156321D+00     
  3      0.959138D+01           0.474758D+00     
  4      0.425904D+01           0.500000D+00     
S   1
  1      0.190789D+01           1.0000000        
S   1
  1      0.832617D+00           1.0000000        
S   1
  1      0.352755D+00           1.0000000        
S   1
  1      0.144545D+00           1.0000000        
P   7
  1      0.892806D+03           0.166323D-03     
  2      0.211415D+03           0.146314D-02     
  3      0.683366D+02           0.814438D-02     
  4      0.262298D+02           0.310487D-01     
  5      0.116039D+02           0.937067D-01     
  6      0.509765D+01           0.247200D+00     
  7      0.233975D+01           0.500000D+00     
P   1
  1      0.106681D+01           1.0000000        
P   1
  1      0.470423D+00           1.0000000        
P   1
  1      0.196221D+00           1.0000000        
P   1
  1      0.770339D-01           1.0000000        
D   1
  1      0.182000D+02           1.0000000        
D   1
  1      0.600000D+01           1.0000000        
D   1
  1      0.240000D+01           1.0000000        
D   1
  1      0.110000D+01           1.0000000        
D   1
  1      0.500000D+00           1.0000000        
D   1
  1      0.200000D+00           1.0000000        
F   1
  1      0.260000D+01           1.0000000        
F   1
  1      0.115000D+01           1.0000000        
F   1
  1      0.500000D+00           1.0000000        
G   1
  1      0.305000D+01           1.0000000        
G   1
  1      0.130000D+01           1.0000000        
H   1
  1      0.205000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: F
data:
FLUORINE
S   12
  1      0.149245D+07           0.421068D-05     
  2      0.223504D+06           0.327369D-04     
  3      0.508888D+05           0.172056D-03     
  4      0.144232D+05           0.726324D-03     
  5      0.470747D+04           0.264471D-02     
  6      0.169946D+04           0.861267D-02     
  7      0.662675D+03           0.255075D-01     
  8      0.274932D+03           0.685895D-01     
  9      0.120974D+03           0.151186D+00     
 10      0.551040D+02           0.322315D+00     
 11      0.235154D+02           0.500000D+00     
 12      0.105009D+02           0.235433D+00     
S   4
  1      0.108252D+03           0.208399D-01     
  2      0.325577D+02           0.191120D+00     
  3      0.120150D+02           0.612293D+00     
  4      0.541101D+01           0.500000D+00     
S   1
  1      0.229993D+01           1.0000000        
S   1
  1      0.102395D+01           1.0000000        
S   1
  1      0.440933D+00           1.0000000        
S   1
  1      0.182580D+00           1.0000000        
P   7
  1      0.103443D+04           0.189315D-03     
  2      0.244865D+03           0.166469D-02     
  3      0.788732D+02           0.935136D-02     
  4      0.296998D+02           0.374814D-01     
  5      0.130075D+02           0.106133D+00     
  6      0.583556D+01           0.268233D+00     
  7      0.271095D+01           0.500000D+00     
P   1
  1      0.125029D+01           1.0000000        
P   1
  1      0.558399D+00           1.0000000        
P   1
  1      0.235082D+00           1.0000000        
P   1
  1      0.936416D-01           1.0000000        
D   1
  1      0.255000D+02           1.0000000        
D   1
  1      0.800000D+01           1.0000000        
D   1
  1      0.320000D+01           1.0000000        
D   1
  1      0.145000D+01           1.0000000        
D   1
  1      0.650000D+00           1.0000000        
D   1
  1      0.250000D+00           1.0000000        
F   1
  1      0.310000D+01           1.0000000        
F   1
  1      0.135000D+01           1.0000000        
F   1
  1      0.600000D+00           1.0000000        
G   1
  1      0.360000D+01           1.0000000        
G   1
  1      0.155000D+01           1.0000000        
H   1
  1      0.215000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ne
data:
NEON
S   12
  1      0.200519D+07           0.392206D-05     
  2      0.300560D+06           0.304648D-04     
  3      0.684361D+05           0.160161D-03     
  4      0.193702D+05           0.678740D-03     
  5      0.629788D+04           0.248878D-02     
  6      0.226312D+04           0.816029D-02     
  7      0.878056D+03           0.243887D-01     
  8      0.361802D+03           0.665430D-01     
  9      0.158266D+03           0.148508D+00     
 10      0.709342D+02           0.326807D+00     
 11      0.297881D+02           0.500000D+00     
 12      0.132653D+02           0.181433D+00     
S   4
  1      0.133958D+03           0.234717D-01     
  2      0.406258D+02           0.212489D+00     
  3      0.149669D+02           0.697485D+00     
  4      0.681893D+01           0.500000D+00     
S   1
  1      0.280458D+01           1.0000000        
S   1
  1      0.125646D+01           1.0000000        
S   1
  1      0.543426D+00           1.0000000        
S   1
  1      0.224780D+00           1.0000000        
P   7
  1      0.117040D+04           0.208041D-03     
  2      0.277095D+03           0.182393D-02     
  3      0.892374D+02           0.102430D-01     
  4      0.330683D+02           0.432873D-01     
  5      0.139999D+02           0.122634D+00     
  6      0.627791D+01           0.293590D+00     
  7      0.291070D+01           0.500000D+00     
P   1
  1      0.134658D+01           1.0000000        
P   1
  1      0.610297D+00           1.0000000        
P   1
  1      0.262248D+00           1.0000000        
P   1
  1      0.106987D+00           1.0000000        
D   1
  1      0.320000D+02           1.0000000        
D   1
  1      0.101000D+02           1.0000000        
D   1
  1      0.400000D+01           1.0000000        
D   1
  1      0.185000D+01           1.0000000        
D   1
  1      0.800000D+00           1.0000000        
D   1
  1      0.300000D+00           1.0000000        
F   1
  1      0.360000D+01           1.0000000        
F   1
  1      0.155000D+01           1.0000000        
F   1
  1      0.700000D+00           1.0000000        
G   1
  1      0.420000D+01           1.0000000        
G   1
  1      0.180000D+01           1.0000000        
H   1
  1      0.225000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Na
data:
SODIUM
S   14
  1      0.309540D+07           0.227025D-05     
  2      0.461567D+06           0.178244D-04     
  3      0.104174D+06           0.948168D-04     
  4      0.293413D+05           0.402743D-03     
  5      0.954303D+04           0.147166D-02     
  6      0.343837D+04           0.481068D-02     
  7      0.133857D+04           0.143535D-01     
  8      0.554005D+03           0.393045D-01     
  9      0.241002D+03           0.976387D-01     
 10      0.108870D+03           0.212894D+00     
 11      0.509387D+02           0.379976D+00     
 12      0.244419D+02           0.500000D+00     
 13      0.117734D+02           0.381755D+00     
 14      0.563030D+01           0.103793D+00     
S   5
  1      0.125807D+03          -0.578418D-02     
  2      0.391912D+02          -0.443469D-01     
  3      0.144448D+02          -0.126688D+00     
  4      0.277102D+01           0.405840D+00     
  5      0.115947D+01           0.500000D+00     
S   2
  1      0.144232D+01           0.246385D+00     
  2      0.548802D+00           0.500000D+00     
S   1
  1      0.231000D+00           1.0000000        
S   1
  1      0.952929D-01           1.0000000        
S   1
  1      0.417204D-01           1.0000000        
S   1
  1      0.175659D-01           1.0000000        
P   11
  1      0.294848D+04           0.507052D-04     
  2      0.700747D+03           0.446590D-03     
  3      0.229090D+03           0.251313D-02     
  4      0.880653D+02           0.108609D-01     
  5      0.362213D+02           0.412634D-01     
  6      0.160725D+02           0.109414D+00     
  7      0.757547D+01           0.245238D+00     
  8      0.366221D+01           0.404554D+00     
  9      0.176584D+01           0.500000D+00     
 10      0.842395D+00           0.449375D+00     
 11      0.390140D+00           0.258119D+00     
P   1
  1      0.172619D+00           1.0000000        
P   1
  1      0.807000D-01           1.0000000        
P   1
  1      0.367000D-01           1.0000000        
P   1
  1      0.167000D-01           1.0000000        
D   1
  1      0.235000D+01           1.0000000        
D   1
  1      0.560000D+00           1.0000000        
D   1
  1      0.140000D+00           1.0000000        
F   1
  1      0.108000D+01           1.0000000        
F   1
  1      0.240000D+00           1.0000000        
G   1
  1      0.300000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Mg
data:
MAGNESIUM
S   14
  1      0.368901D+07           0.226101D-05     
  2      0.551274D+06           0.176931D-04     
  3      0.124720D+06           0.938399D-04     
  4      0.351973D+05           0.397641D-03     
  5      0.114689D+05           0.144898D-02     
  6      0.414218D+04           0.471921D-02     
  7      0.161749D+04           0.140154D-01     
  8      0.672134D+03           0.381692D-01     
  9      0.293772D+03           0.944709D-01     
 10      0.133336D+03           0.206035D+00     
 11      0.625579D+02           0.372727D+00     
 12      0.299620D+02           0.500000D+00     
 13      0.144193D+02           0.388575D+00     
 14      0.691028D+01           0.109201D+00     
S   5
  1      0.148908D+03          -0.595860D-02     
  2      0.465525D+02          -0.450480D-01     
  3      0.173493D+02          -0.126530D+00     
  4      0.341836D+01           0.384595D+00     
  5      0.148605D+01           0.500000D+00     
S   2
  1      0.190567D+01           0.223489D+00     
  2      0.738987D+00           0.500000D+00     
S   1
  1      0.321000D+00           1.0000000        
S   1
  1      0.146716D+00           1.0000000        
S   1
  1      0.636243D-01           1.0000000        
S   1
  1      0.270158D-01           1.0000000        
P   11
  1      0.426751D+04           0.379409D-04     
  2      0.101507D+04           0.335092D-03     
  3      0.330816D+03           0.192364D-02     
  4      0.125804D+03           0.867583D-02     
  5      0.516334D+02           0.328146D-01     
  6      0.234596D+02           0.879875D-01     
  7      0.111649D+02           0.207457D+00     
  8      0.546781D+01           0.369119D+00     
  9      0.266860D+01           0.500000D+00     
 10      0.127921D+01           0.479144D+00     
 11      0.604098D+00           0.272213D+00     
P   1
  1      0.273645D+00           1.0000000        
P   1
  1      0.122500D+00           1.0000000        
P   1
  1      0.557000D-01           1.0000000        
P   1
  1      0.253000D-01           1.0000000        
D   1
  1      0.336000D+01           1.0000000        
D   1
  1      0.800000D+00           1.0000000        
D   1
  1      0.200000D+00           1.0000000        
F   1
  1      0.135000D+01           1.0000000        
F   1
  1      0.300000D+00           1.0000000        
G   1
  1      0.350000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Al
data:
ALUMINUM
S   14
  1      0.460419D+07           0.207976D-05     
  2      0.692204D+06           0.160628D-04     
  3      0.158264D+06           0.839363D-04     
  4      0.450147D+05           0.353142D-03     
  5      0.147211D+05           0.128546D-02     
  6      0.531831D+04           0.419733D-02     
  7      0.207243D+04           0.125513D-01     
  8      0.856162D+03           0.347288D-01     
  9      0.370184D+03           0.880830D-01     
 10      0.165994D+03           0.196483D+00     
 11      0.770254D+02           0.364559D+00     
 12      0.365340D+02           0.500000D+00     
 13      0.174965D+02           0.396915D+00     
 14      0.837377D+01           0.115587D+00     
S   5
  1      0.175124D+03          -0.576228D-02     
  2      0.548355D+02          -0.433448D-01     
  3      0.205924D+02          -0.120745D+00     
  4      0.408624D+01           0.366112D+00     
  5      0.179460D+01           0.500000D+00     
S   2
  1      0.239937D+01           0.223032D+00     
  2      0.923145D+00           0.500000D+00     
S   1
  1      0.450567D+00           1.0000000        
S   1
  1      0.209107D+00           1.0000000        
S   1
  1      0.937939D-01           1.0000000        
S   1
  1      0.410663D-01           1.0000000        
P   11
  1      0.605257D+04           0.309727D-04     
  2      0.143863D+04           0.274272D-03     
  3      0.468292D+03           0.158772D-02     
  4      0.178509D+03           0.715390D-02     
  5      0.755638D+02           0.249560D-01     
  6      0.360364D+02           0.675078D-01     
  7      0.175945D+02           0.163837D+00     
  8      0.888503D+01           0.317977D+00     
  9      0.450543D+01           0.500000D+00     
 10      0.231990D+01           0.514187D+00     
 11      0.120473D+01           0.387970D+00     
P   2
  1      0.422725D+01          -0.836147D-01     
  2      0.612090D+00           0.500000D+00     
P   1
  1      0.284372D+00           1.0000000        
P   1
  1      0.124466D+00           1.0000000        
P   1
  1      0.541795D-01           1.0000000        
P   1
  1      0.221304D-01           1.0000000        
D   1
  1      0.178100D+02           1.0000000        
D   1
  1      0.509000D+01           1.0000000        
D   1
  1      0.175000D+01           1.0000000        
D   1
  1      0.630000D+00           1.0000000        
D   1
  1      0.270000D+00           1.0000000        
D   1
  1      0.110000D+00           1.0000000        
F   1
  1      0.217000D+01           1.0000000        
F   1
  1      0.510000D+00           1.0000000        
F   1
  1      0.210000D+00           1.0000000        
G   1
  1      0.114000D+01           1.0000000        
G   1
  1      0.380000D+00           1.0000000        
H   1
  1      0.690000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Si
data:
SILICON
S   14
  1      0.503074D+07           0.224702D-05     
  2      0.760810D+06           0.172367D-04     
  3      0.174376D+06           0.899084D-04     
  4      0.496607D+05           0.377855D-03     
  5      0.162485D+05           0.137495D-02     
  6      0.587159D+04           0.448728D-02     
  7      0.228998D+04           0.133689D-01     
  8      0.950411D+03           0.364990D-01     
  9      0.415066D+03           0.907621D-01     
 10      0.188328D+03           0.199174D+00     
 11      0.883134D+02           0.366205D+00     
 12      0.421693D+02           0.500000D+00     
 13      0.203040D+02           0.394821D+00     
 14      0.977137D+01           0.114576D+00     
S   5
  1      0.203644D+03          -0.551995D-02     
  2      0.638087D+02          -0.414431D-01     
  3      0.241080D+02          -0.114572D+00     
  4      0.481627D+01           0.347431D+00     
  5      0.215963D+01           0.500000D+00     
S   2
  1      0.298563D+01           0.202588D+00     
  2      0.113278D+01           0.500000D+00     
S   1
  1      0.617314D+00           1.0000000        
S   1
  1      0.272062D+00           1.0000000        
S   1
  1      0.123499D+00           1.0000000        
S   1
  1      0.546890D-01           1.0000000        
P   11
  1      0.664747D+04           0.361152D-04     
  2      0.160010D+04           0.312591D-03     
  3      0.525369D+03           0.178453D-02     
  4      0.201088D+03           0.803935D-02     
  5      0.841814D+02           0.293729D-01     
  6      0.392797D+02           0.801574D-01     
  7      0.191359D+02           0.189560D+00     
  8      0.979839D+01           0.341353D+00     
  9      0.518613D+01           0.500000D+00     
 10      0.276090D+01           0.506932D+00     
 11      0.148970D+01           0.364848D+00     
P   2
  1      0.555807D+01          -0.838600D-01     
  2      0.799727D+00           0.500000D+00     
P   1
  1      0.406173D+00           1.0000000        
P   1
  1      0.185295D+00           1.0000000        
P   1
  1      0.819091D-01           1.0000000        
P   1
  1      0.336817D-01           1.0000000        
D   1
  1      0.195200D+02           1.0000000        
D   1
  1      0.558000D+01           1.0000000        
D   1
  1      0.192000D+01           1.0000000        
D   1
  1      0.690000D+00           1.0000000        
D   1
  1      0.299000D+00           1.0000000        
D   1
  1      0.125000D+00           1.0000000        
F   1
  1      0.264000D+01           1.0000000        
F   1
  1      0.620000D+00           1.0000000        
F   1
  1      0.260000D+00           1.0000000        
G   1
  1      0.135000D+01           1.0000000        
G   1
  1      0.450000D+00           1.0000000        
H   1
  1      0.780000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: P
data:
PHOSPHOROUS
S   14
  1      0.596579D+07           0.216359D-05     
  2      0.893799D+06           0.167693D-04     
  3      0.204197D+06           0.877752D-04     
  4      0.579578D+05           0.370501D-03     
  5      0.189294D+05           0.134850D-02     
  6      0.684555D+04           0.438664D-02     
  7      0.267636D+04           0.130205D-01     
  8      0.111310D+04           0.355293D-01     
  9      0.486443D+03           0.885590D-01     
 10      0.220836D+03           0.194795D+00     
 11      0.103580D+03           0.361428D+00     
 12      0.493513D+02           0.500000D+00     
 13      0.237215D+02           0.399099D+00     
 14      0.114209D+02           0.117514D+00     
S   5
  1      0.235212D+03          -0.526172D-02     
  2      0.737031D+02          -0.395853D-01     
  3      0.279552D+02          -0.109223D+00     
  4      0.558059D+01           0.337351D+00     
  5      0.257085D+01           0.500000D+00     
S   2
  1      0.367689D+01           0.170842D+00     
  2      0.138806D+01           0.500000D+00     
S   1
  1      0.874645D+00           1.0000000        
S   1
  1      0.353267D+00           1.0000000        
S   1
  1      0.160097D+00           1.0000000        
S   1
  1      0.705043D-01           1.0000000        
P   11
  1      0.816603D+04           0.334629D-04     
  2      0.194908D+04           0.294108D-03     
  3      0.636913D+03           0.169187D-02     
  4      0.243516D+03           0.763836D-02     
  5      0.102359D+03           0.277788D-01     
  6      0.478673D+02           0.771466D-01     
  7      0.232877D+02           0.185993D+00     
  8      0.118691D+02           0.343636D+00     
  9      0.629688D+01           0.500000D+00     
 10      0.338787D+01           0.508882D+00     
 11      0.184172D+01           0.361935D+00     
P   2
  1      0.699853D+01          -0.884696D-01     
  2      0.101193D+01           0.500000D+00     
P   1
  1      0.557252D+00           1.0000000        
P   1
  1      0.260625D+00           1.0000000        
P   1
  1      0.115218D+00           1.0000000        
P   1
  1      0.472829D-01           1.0000000        
D   1
  1      0.212300D+02           1.0000000        
D   1
  1      0.607000D+01           1.0000000        
D   1
  1      0.209000D+01           1.0000000        
D   1
  1      0.750000D+00           1.0000000        
D   1
  1      0.325000D+00           1.0000000        
D   1
  1      0.135000D+00           1.0000000        
F   1
  1      0.312000D+01           1.0000000        
F   1
  1      0.730000D+00           1.0000000        
F   1
  1      0.300000D+00           1.0000000        
G   1
  1      0.155000D+01           1.0000000        
G   1
  1      0.520000D+00           1.0000000        
H   1
  1      0.870000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: S
data:
SULFUR
S   14
  1      0.687284D+07           0.213766D-05     
  2      0.102889D+07           0.166154D-04     
  3      0.234370D+06           0.872594D-04     
  4      0.664834D+05           0.367900D-03     
  5      0.217365D+05           0.133607D-02     
  6      0.787352D+04           0.433576D-02     
  7      0.308384D+04           0.128394D-01     
  8      0.128539D+04           0.349244D-01     
  9      0.563409D+03           0.868195D-01     
 10      0.256525D+03           0.191107D+00     
 11      0.120514D+03           0.357420D+00     
 12      0.574282D+02           0.500000D+00     
 13      0.276509D+02           0.405970D+00     
 14      0.133480D+02           0.124253D+00     
S   5
  1      0.268977D+03          -0.496200D-02     
  2      0.842831D+02          -0.373992D-01     
  3      0.320837D+02          -0.102925D+00     
  4      0.637002D+01           0.333568D+00     
  5      0.297987D+01           0.500000D+00     
S   2
  1      0.437556D+01           0.136497D+00     
  2      0.160544D+01           0.500000D+00     
S   1
  1      0.116444D+01           1.0000000        
S   1
  1      0.441044D+00           1.0000000        
S   1
  1      0.202230D+00           1.0000000        
S   1
  1      0.897369D-01           1.0000000        
P   11
  1      0.985719D+04           0.312349D-04     
  2      0.234395D+04           0.276828D-03     
  3      0.762509D+03           0.160936D-02     
  4      0.290587D+03           0.731206D-02     
  5      0.122289D+03           0.265997D-01     
  6      0.571707D+02           0.750849D-01     
  7      0.277603D+02           0.184001D+00     
  8      0.140822D+02           0.347602D+00     
  9      0.738735D+01           0.500000D+00     
 10      0.393879D+01           0.530510D+00     
 11      0.207934D+01           0.360771D+00     
P   2
  1      0.836706D+01          -0.416159D-01     
  2      0.109623D+01           0.500000D+00     
P   1
  1      0.556419D+00           1.0000000        
P   1
  1      0.266991D+00           1.0000000        
P   1
  1      0.119946D+00           1.0000000        
P   1
  1      0.503524D-01           1.0000000        
D   1
  1      0.229300D+02           1.0000000        
D   1
  1      0.655000D+01           1.0000000        
D   1
  1      0.226000D+01           1.0000000        
D   1
  1      0.810000D+00           1.0000000        
D   1
  1      0.351000D+00           1.0000000        
D   1
  1      0.146000D+00           1.0000000        
F   1
  1      0.359000D+01           1.0000000        
F   1
  1      0.840000D+00           1.0000000        
F   1
  1      0.350000D+00           1.0000000        
G   1
  1      0.176000D+01           1.0000000        
G   1
  1      0.590000D+00           1.0000000        
H   1
  1      0.950000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Cl
data:
CHLORINE
S   14
  1      0.786113D+07           0.210089D-05     
  2      0.118128D+07           0.162551D-04     
  3      0.269657D+06           0.851556D-04     
  4      0.766280D+05           0.358334D-03     
  5      0.250690D+05           0.130221D-02     
  6      0.907232D+04           0.423563D-02     
  7      0.354984D+04           0.125546D-01     
  8      0.147883D+04           0.341932D-01     
  9      0.647817D+03           0.851879D-01     
 10      0.294983D+03           0.187821D+00     
 11      0.138620D+03           0.353685D+00     
 12      0.659823D+02           0.500000D+00     
 13      0.317529D+02           0.410728D+00     
 14      0.153354D+02           0.128176D+00     
S   5
  1      0.305197D+03          -0.486433D-02     
  2      0.955978D+02          -0.367769D-01     
  3      0.364875D+02          -0.101007D+00     
  4      0.723853D+01           0.337156D+00     
  5      0.343701D+01           0.500000D+00     
S   2
  1      0.515644D+01           0.109136D+00     
  2      0.185666D+01           0.500000D+00     
S   1
  1      0.143848D+01           1.0000000        
S   1
  1      0.526818D+00           1.0000000        
S   1
  1      0.242705D+00           1.0000000        
S   1
  1      0.108424D+00           1.0000000        
P   11
  1      0.112554D+05           0.311531D-04     
  2      0.267067D+04           0.276761D-03     
  3      0.869208D+03           0.160568D-02     
  4      0.331736D+03           0.728522D-02     
  5      0.139610D+03           0.267078D-01     
  6      0.649826D+02           0.762551D-01     
  7      0.314460D+02           0.188634D+00     
  8      0.158630D+02           0.357979D+00     
  9      0.831474D+01           0.500000D+00     
 10      0.451098D+01           0.508552D+00     
 11      0.243001D+01           0.340072D+00     
P   2
  1      0.991047D+01          -0.371666D-01     
  2      0.130661D+01           0.500000D+00     
P   1
  1      0.639934D+00           1.0000000        
P   1
  1      0.306207D+00           1.0000000        
P   1
  1      0.138847D+00           1.0000000        
P   1
  1      0.593600D-01           1.0000000        
D   1
  1      0.246300D+02           1.0000000        
D   1
  1      0.704000D+01           1.0000000        
D   1
  1      0.243000D+01           1.0000000        
D   1
  1      0.870000D+00           1.0000000        
D   1
  1      0.377000D+00           1.0000000        
D   1
  1      0.157000D+00           1.0000000        
F   1
  1      0.406000D+01           1.0000000        
F   1
  1      0.950000D+00           1.0000000        
F   1
  1      0.390000D+00           1.0000000        
G   1
  1      0.197000D+01           1.0000000        
G   1
  1      0.660000D+00           1.0000000        
H   1
  1      0.104000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ar
data:
ARGON
S   14
  1      0.940071D+07           0.193654D-05     
  2      0.140997D+07           0.150543D-04     
  3      0.320384D+06           0.794601D-04     
  4      0.905810D+05           0.336452D-03     
  5      0.295321D+05           0.122628D-02     
  6      0.106701D+05           0.399210D-02     
  7      0.417352D+04           0.118337D-01     
  8      0.173918D+04           0.322499D-01     
  9      0.761932D+03           0.807161D-01     
 10      0.346447D+03           0.180052D+00     
 11      0.161959D+03           0.346550D+00     
 12      0.765976D+02           0.500000D+00     
 13      0.367438D+02           0.420671D+00     
 14      0.177261D+02           0.137129D+00     
S   5
  1      0.343604D+03          -0.487731D-02     
  2      0.107571D+03          -0.369879D-01     
  3      0.411529D+02          -0.101304D+00     
  4      0.818348D+01           0.344067D+00     
  5      0.394081D+01           0.500000D+00     
S   2
  1      0.603444D+01           0.978325D-01     
  2      0.218719D+01           0.500000D+00     
S   1
  1      0.173042D+01           1.0000000        
S   1
  1      0.625781D+00           1.0000000        
S   1
  1      0.288635D+00           1.0000000        
S   1
  1      0.128781D+00           1.0000000        
P   11
  1      0.133053D+05           0.285436D-04     
  2      0.316696D+04           0.252310D-03     
  3      0.103204D+04           0.146476D-02     
  4      0.394201D+03           0.665320D-02     
  5      0.166459D+03           0.243567D-01     
  6      0.773870D+02           0.713458D-01     
  7      0.372152D+02           0.180897D+00     
  8      0.186225D+02           0.353212D+00     
  9      0.967401D+01           0.500000D+00     
 10      0.525541D+01           0.500420D+00     
 11      0.284846D+01           0.331675D+00     
P   2
  1      0.116020D+02          -0.355044D-01     
  2      0.154486D+01           0.500000D+00     
P   1
  1      0.743091D+00           1.0000000        
P   1
  1      0.353963D+00           1.0000000        
P   1
  1      0.160875D+00           1.0000000        
P   1
  1      0.694865D-01           1.0000000        
D   1
  1      0.263300D+02           1.0000000        
D   1
  1      0.753000D+01           1.0000000        
D   1
  1      0.260000D+01           1.0000000        
D   1
  1      0.930000D+00           1.0000000        
D   1
  1      0.410000D+00           1.0000000        
D   1
  1      0.170000D+00           1.0000000        
F   1
  1      0.453000D+01           1.0000000        
F   1
  1      0.106000D+01           1.0000000        
F   1
  1      0.440000D+00           1.0000000        
G   1
  1      0.218000D+01           1.0000000        
G   1
  1      0.730000D+00           1.0000000        
H   1
  1      0.112000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: K
data:
POTASSIUM
S   15
  1      0.128210D+08           0.157051D-05     
  2      0.195957D+07           0.118284D-04     
  3      0.455871D+06           0.603443D-04     
  4      0.132081D+06           0.247212D-03     
  5      0.441062D+05           0.873536D-03     
  6      0.162974D+05           0.277027D-02     
  7      0.649504D+04           0.807822D-02     
  8      0.274616D+04           0.218458D-01     
  9      0.122180D+04           0.542755D-01     
 10      0.567543D+03           0.122404D+00     
 11      0.275421D+03           0.238575D+00     
 12      0.137220D+03           0.402655D+00     
 13      0.685863D+02           0.500000D+00     
 14      0.343627D+02           0.357694D+00     
 15      0.168731D+02           0.897163D-01     
S   7
  1      0.788872D+03          -0.108122D-02     
  2      0.244260D+03          -0.106862D-01     
  3      0.953115D+02          -0.452010D-01     
  4      0.423177D+02          -0.924165D-01     
  5      0.964482D+01           0.313169D+00     
  6      0.491910D+01           0.500000D+00     
  7      0.251375D+01           0.293798D+00     
S   5
  1      0.344327D+02           0.431883D-02     
  2      0.790786D+01          -0.137742D+00     
  3      0.369328D+01          -0.183543D+00     
  4      0.294033D+01          -0.277528D+00     
  5      0.120809D+01           0.500000D+00     
S   1
  1      0.590120D+00           1.0000000        
S   1
  1      0.259492D+00           1.0000000        
S   1
  1      0.709000D-01           1.0000000        
S   1
  1      0.445033D-01           1.0000000        
S   1
  1      0.172552D-01           1.0000000        
P   12
  1      0.127445D+05           0.412196D-04     
  2      0.305643D+04           0.357825D-03     
  3      0.100716D+04           0.202111D-02     
  4      0.390147D+03           0.889463D-02     
  5      0.165958D+03           0.323737D-01     
  6      0.776642D+02           0.901145D-01     
  7      0.381623D+02           0.216319D+00     
  8      0.193723D+02           0.411398D+00     
  9      0.100316D+02           0.565143D+00     
 10      0.552471D+01           0.500000D+00     
 11      0.315065D+01           0.310121D+00     
 12      0.179534D+01           0.100865D+00     
P   5
  1      0.364778D+02          -0.351350D-02     
  2      0.123437D+02          -0.227038D-01     
  3      0.476348D+01          -0.479189D-02     
  4      0.190481D+01           0.227861D+00     
  5      0.948232D+00           0.500000D+00     
P   1
  1      0.468975D+00           1.0000000        
P   1
  1      0.224799D+00           1.0000000        
P   1
  1      0.103311D+00           1.0000000        
P   1
  1      0.325000D-01           1.0000000        
D   4
  1      0.383422D+02           0.995255D-02     
  2      0.112463D+02           0.617254D-01     
  3      0.419852D+01           0.200335D+00     
  4      0.162153D+01           0.500000D+00     
D   1
  1      0.633268D+00           1.0000000        
D   1
  1      0.236198D+00           1.0000000        
D   1
  1      0.856178D-01           1.0000000        
D   1
  1      0.296926D-01           1.0000000        
F   1
  1      0.128000D+01           1.0000000        
F   1
  1      0.320000D+00           1.0000000        
G   1
  1      0.480000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ca
data:
CALCIUM
S   15
  1      0.151968D+08           0.142215D-05     
  2      0.234308D+07           0.105752D-04     
  3      0.549724D+06           0.533493D-04     
  4      0.160386D+06           0.216892D-03     
  5      0.537853D+05           0.764165D-03     
  6      0.199210D+05           0.241674D-02     
  7      0.797122D+04           0.699643D-02     
  8      0.338539D+04           0.189142D-01     
  9      0.150224D+04           0.479719D-01     
 10      0.689897D+03           0.111415D+00     
 11      0.329820D+03           0.225005D+00     
 12      0.161595D+03           0.392082D+00     
 13      0.798624D+02           0.500000D+00     
 14      0.397393D+02           0.371825D+00     
 15      0.194029D+02           0.989867D-01     
S   7
  1      0.883227D+03          -0.110104D-02     
  2      0.273144D+03          -0.109627D-01     
  3      0.106186D+03          -0.470331D-01     
  4      0.470628D+02          -0.958797D-01     
  5      0.108530D+02           0.318709D+00     
  6      0.566503D+01           0.500000D+00     
  7      0.296993D+01           0.319345D+00     
S   5
  1      0.358188D+02           0.540875D-02     
  2      0.949917D+01          -0.124738D+00     
  3      0.484255D+01          -0.145986D+00     
  4      0.352052D+01          -0.362541D+00     
  5      0.141155D+01           0.500000D+00     
S   1
  1      0.717918D+00           1.0000000        
S   1
  1      0.326506D+00           1.0000000        
S   1
  1      0.894855D-01           1.0000000        
S   1
  1      0.443010D-01           1.0000000        
S   1
  1      0.200225D-01           1.0000000        
P   12
  1      0.153250D+05           0.359268D-04     
  2      0.366674D+04           0.313178D-03     
  3      0.120769D+04           0.177155D-02     
  4      0.468172D+03           0.781082D-02     
  5      0.200062D+03           0.282481D-01     
  6      0.939446D+02           0.804757D-01     
  7      0.460062D+02           0.197978D+00     
  8      0.233317D+02           0.386539D+00     
  9      0.121312D+02           0.543172D+00     
 10      0.674301D+01           0.500000D+00     
 11      0.386758D+01           0.331114D+00     
 12      0.220835D+01           0.116101D+00     
P   5
  1      0.429495D+02          -0.349510D-02     
  2      0.146237D+02          -0.234035D-01     
  3      0.560660D+01          -0.959169D-02     
  4      0.233691D+01           0.210892D+00     
  5      0.118677D+01           0.500000D+00     
P   1
  1      0.594101D+00           1.0000000        
P   1
  1      0.293390D+00           1.0000000        
P   1
  1      0.140251D+00           1.0000000        
P   1
  1      0.447000D-01           1.0000000        
D   4
  1      0.504049D+02           0.845973D-02     
  2      0.148347D+02           0.554888D-01     
  3      0.551603D+01           0.194869D+00     
  4      0.214182D+01           0.500000D+00     
D   1
  1      0.855031D+00           1.0000000        
D   1
  1      0.328499D+00           1.0000000        
D   1
  1      0.121643D+00           1.0000000        
D   1
  1      0.423087D-01           1.0000000        
F   1
  1      0.160000D+01           1.0000000        
F   1
  1      0.400000D+00           1.0000000        
G   1
  1      0.600000D+00           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Sc
data:
SCANDIUM
S   15
  1      0.216236D+08           0.100334D-05     
  2      0.329770D+07           0.775959D-05     
  3      0.738369D+06           0.420080D-04     
  4      0.206907D+06           0.178495D-03     
  5      0.676652D+05           0.640805D-03     
  6      0.248698D+05           0.201429D-02     
  7      0.100053D+05           0.574531D-02     
  8      0.427733D+04           0.155275D-01     
  9      0.189363D+04           0.402406D-01     
 10      0.859495D+03           0.967467D-01     
 11      0.402003D+03           0.207080D+00     
 12      0.191117D+03           0.379840D+00     
 13      0.921270D+02           0.500000D+00     
 14      0.450584D+02           0.378137D+00     
 15      0.217893D+02           0.101354D+00     
S   7
  1      0.975071D+03          -0.110590D-02     
  2      0.301881D+03          -0.109919D-01     
  3      0.117466D+03          -0.472161D-01     
  4      0.521702D+02          -0.960457D-01     
  5      0.120018D+02           0.329846D+00     
  6      0.624623D+01           0.500000D+00     
  7      0.333427D+01           0.303482D+00     
S   5
  1      0.379746D+02           0.670964D-02     
  2      0.115336D+02          -0.103622D+00     
  3      0.590403D+01          -0.228738D+00     
  4      0.367761D+01          -0.378910D+00     
  5      0.176346D+01           0.500000D+00     
S   1
  1      0.854280D+00           1.0000000        
S   1
  1      0.387062D+00           1.0000000        
S   1
  1      0.113344D+00           1.0000000        
S   1
  1      0.552145D-01           1.0000000        
S   1
  1      0.239420D-01           1.0000000        
P   12
  1      0.189287D+05           0.297035D-04     
  2      0.445525D+04           0.267084D-03     
  3      0.144936D+04           0.154549D-02     
  4      0.556757D+03           0.692428D-02     
  5      0.237955D+03           0.248325D-01     
  6      0.112668D+03           0.705741D-01     
  7      0.558308D+02           0.172901D+00     
  8      0.287249D+02           0.343191D+00     
  9      0.152894D+02           0.487560D+00     
 10      0.870247D+01           0.500000D+00     
 11      0.497112D+01           0.381319D+00     
 12      0.278430D+01           0.150394D+00     
P   5
  1      0.492356D+02          -0.362850D-02     
  2      0.169146D+02          -0.245352D-01     
  3      0.659857D+01          -0.128823D-01     
  4      0.278843D+01           0.205339D+00     
  5      0.143494D+01           0.500000D+00     
P   1
  1      0.729957D+00           1.0000000        
P   1
  1      0.364123D+00           1.0000000        
P   1
  1      0.172671D+00           1.0000000        
P   1
  1      0.520000D-01           1.0000000        
D   8
  1      0.266105D+03           0.349102D-03     
  2      0.756332D+02           0.343892D-02     
  3      0.282227D+02           0.190907D-01     
  4      0.116535D+02           0.719631D-01     
  5      0.559691D+01           0.144956D+00     
  6      0.295590D+01           0.275272D+00     
  7      0.160727D+01           0.396229D+00     
  8      0.867952D+00           0.500000D+00     
D   1
  1      0.446101D+00           1.0000000        
D   1
  1      0.216353D+00           1.0000000        
D   1
  1      0.975345D-01           1.0000000        
D   1
  1      0.396888D-01           1.0000000        
F   1
  1      0.108910D+02           1.0000000        
F   1
  1      0.340300D+01           1.0000000        
F   1
  1      0.126100D+01           1.0000000        
F   1
  1      0.525000D+00           1.0000000        
F   1
  1      0.219000D+00           1.0000000        
G   1
  1      0.588200D+01           1.0000000        
G   1
  1      0.147100D+01           1.0000000        
G   1
  1      0.368000D+00           1.0000000        
H   1
  1      0.317700D+01           1.0000000        
H   1
  1      0.706000D+00           1.0000000        
I   1
  1      0.160900D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Ti
data:
TITANIUM
S   15
  1      0.199171D+08           0.125852D-05     
  2      0.308482D+07           0.934950D-05     
  3      0.719530D+06           0.477171D-04     
  4      0.208491D+06           0.195575D-03     
  5      0.695992D+05           0.691707D-03     
  6      0.257031D+05           0.219701D-02     
  7      0.102302D+05           0.643487D-02     
  8      0.431264D+04           0.175557D-01     
  9      0.190978D+04           0.442847D-01     
 10      0.881460D+03           0.102250D+00     
 11      0.421825D+03           0.211508D+00     
 12      0.204296D+03           0.382717D+00     
 13      0.994497D+02           0.500000D+00     
 14      0.489485D+02           0.373328D+00     
 15      0.238192D+02           0.986684D-01     
S   7
  1      0.107722D+04          -0.110654D-02     
  2      0.333467D+03          -0.110300D-01     
  3      0.129623D+03          -0.477196D-01     
  4      0.575566D+02          -0.970327D-01     
  5      0.132706D+02           0.335859D+00     
  6      0.691003D+01           0.500000D+00     
  7      0.370153D+01           0.292784D+00     
S   5
  1      0.427394D+02           0.620134D-02     
  2      0.132732D+02          -0.839810D-01     
  3      0.658875D+01          -0.252728D+00     
  4      0.386563D+01          -0.316382D+00     
  5      0.199275D+01           0.500000D+00     
S   1
  1      0.948798D+00           1.0000000        
S   1
  1      0.431452D+00           1.0000000        
S   1
  1      0.128992D+00           1.0000000        
S   1
  1      0.604171D-01           1.0000000        
S   1
  1      0.256470D-01           1.0000000        
P   12
  1      0.235666D+05           0.232519D-04     
  2      0.555650D+04           0.208311D-03     
  3      0.181342D+04           0.119849D-02     
  4      0.701424D+03           0.530063D-02     
  5      0.304403D+03           0.185850D-01     
  6      0.144520D+03           0.557014D-01     
  7      0.709186D+02           0.142432D+00     
  8      0.363170D+02           0.292417D+00     
  9      0.196227D+02           0.424047D+00     
 10      0.112103D+02           0.500000D+00     
 11      0.627701D+01           0.422426D+00     
 12      0.344141D+01           0.180992D+00     
P   5
  1      0.556258D+02          -0.381736D-02     
  2      0.192658D+02          -0.259518D-01     
  3      0.733651D+01          -0.177482D-01     
  4      0.335640D+01           0.190589D+00     
  5      0.174408D+01           0.500000D+00     
P   1
  1      0.888776D+00           1.0000000        
P   1
  1      0.440707D+00           1.0000000        
P   1
  1      0.206855D+00           1.0000000        
P   1
  1      0.610000D-01           1.0000000        
D   8
  1      0.320890D+03           0.301133D-03     
  2      0.934750D+02           0.291639D-02     
  3      0.349659D+02           0.167291D-01     
  4      0.146188D+02           0.625346D-01     
  5      0.713617D+01           0.132902D+00     
  6      0.370309D+01           0.268599D+00     
  7      0.197787D+01           0.399411D+00     
  8      0.104726D+01           0.500000D+00     
D   1
  1      0.530085D+00           1.0000000        
D   1
  1      0.254313D+00           1.0000000        
D   1
  1      0.115672D+00           1.0000000        
D   1
  1      0.487713D-01           1.0000000        
F   1
  1      0.119800D+02           1.0000000        
F   1
  1      0.374400D+01           1.0000000        
F   1
  1      0.138700D+01           1.0000000        
F   1
  1      0.578000D+00           1.0000000        
F   1
  1      0.241000D+00           1.0000000        
G   1
  1      0.647100D+01           1.0000000        
G   1
  1      0.161800D+01           1.0000000        
G   1
  1      0.404000D+00           1.0000000        
H   1
  1      0.349400D+01           1.0000000        
H   1
  1      0.776000D+00           1.0000000        
I   1
  1      0.177000D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: V
data:
VANADIUM
S   15
  1      0.188874D+08           0.151508D-05     
  2      0.295561D+07           0.111022D-04     
  3      0.693626D+06           0.563176D-04     
  4      0.201814D+06           0.229685D-03     
  5      0.676508D+05           0.806830D-03     
  6      0.251383D+05           0.253412D-02     
  7      0.100906D+05           0.732234D-02     
  8      0.429227D+04           0.197087D-01     
  9      0.192051D+04           0.487058D-01     
 10      0.898968D+03           0.109336D+00     
 11      0.438560D+03           0.217802D+00     
 12      0.216915D+03           0.385333D+00     
 13      0.107022D+03           0.500000D+00     
 14      0.530842D+02           0.370796D+00     
 15      0.259830D+02           0.972489D-01     
S   7
  1      0.118040D+04          -0.111353D-02     
  2      0.365537D+03          -0.111089D-01     
  3      0.142025D+03          -0.482603D-01     
  4      0.631026D+02          -0.976976D-01     
  5      0.146458D+02           0.338303D+00     
  6      0.763345D+01           0.500000D+00     
  7      0.408931D+01           0.285059D+00     
S   5
  1      0.492793D+02           0.555320D-02     
  2      0.145741D+02          -0.802429D-01     
  3      0.708769D+01          -0.270415D+00     
  4      0.409100D+01          -0.252553D+00     
  5      0.218237D+01           0.500000D+00     
S   1
  1      0.104246D+01           1.0000000        
S   1
  1      0.475536D+00           1.0000000        
S   1
  1      0.145067D+00           1.0000000        
S   1
  1      0.658175D-01           1.0000000        
S   1
  1      0.273181D-01           1.0000000        
P   12
  1      0.285672D+05           0.190788D-04     
  2      0.675689D+04           0.169978D-03     
  3      0.221136D+04           0.973982D-03     
  4      0.860075D+03           0.425840D-02     
  5      0.377149D+03           0.148010D-01     
  6      0.178733D+03           0.460530D-01     
  7      0.875758D+02           0.119679D+00     
  8      0.449660D+02           0.251802D+00     
  9      0.244711D+02           0.384851D+00     
 10      0.138085D+02           0.500000D+00     
 11      0.762464D+01           0.444897D+00     
 12      0.414783D+01           0.203535D+00     
P   5
  1      0.631090D+02          -0.401763D-02     
  2      0.220592D+02          -0.274233D-01     
  3      0.875942D+01          -0.214976D-01     
  4      0.397549D+01           0.176795D+00     
  5      0.211281D+01           0.500000D+00     
P   1
  1      0.108510D+01           1.0000000        
P   1
  1      0.534609D+00           1.0000000        
P   1
  1      0.246282D+00           1.0000000        
P   1
  1      0.690000D-01           1.0000000        
D   8
  1      0.377838D+03           0.278128D-03     
  2      0.110659D+03           0.270623D-02     
  3      0.416049D+02           0.155757D-01     
  4      0.177218D+02           0.567333D-01     
  5      0.878498D+01           0.126934D+00     
  6      0.449084D+01           0.269000D+00     
  7      0.236764D+01           0.405329D+00     
  8      0.124680D+01           0.500000D+00     
D   1
  1      0.631193D+00           1.0000000        
D   1
  1      0.303059D+00           1.0000000        
D   1
  1      0.137985D+00           1.0000000        
D   1
  1      0.581480D-01           1.0000000        
F   1
  1      0.131780D+02           1.0000000        
F   1
  1      0.411800D+01           1.0000000        
F   1
  1      0.152500D+01           1.0000000        
F   1
  1      0.636000D+00           1.0000000        
F   1
  1      0.265000D+00           1.0000000        
G   1
  1      0.711800D+01           1.0000000        
G   1
  1      0.177900D+01           1.0000000        
G   1
  1      0.445000D+00           1.0000000        
H   1
  1      0.384400D+01           1.0000000        
H   1
  1      0.854000D+00           1.0000000        
I   1
  1      0.194700D+01           1.0000000        


name: pcseg-4
description: Polarized Valence Pentuble Zeta, DFT Optimized
elt: Cr
data:
CHROMIUM
S   15
  1      0.184573D+08           0.175834D-05     
  2      0.290458D+07           0.127610D-04     
  3      0.686473D+06           0.641708D-04     
  4      0.200428D+06           0.261369D-03     
  5      0.672506D+05           0.917071D-03     
  6      0.250588D+05           0.285975D-02     
  7      0.101108D+05           0.819284D-02     
  8      0.432102D+04           0.219162D-01     
  9      0.194410D+04           0.533412D-01     
 10      0.919522D+03           0.116969D+00     
 11      0.454883D+03           0.226278D+00     
 12      0.228775D+03           0.390747D+00     
 13      0.114402D+03           0.500000D+00     
 14      0.573780D+02           0.367381D+00     
 15      0.283561D+02           0.971485D-01     
S   7
  1      0.129428D+04          -0.111164D-02     
  2      0.400872D+03          -0.111070D-01     
  3      0.155643D+03          -0.486186D-01     
  4      0.690686D+02          -0.987334D-01     
  5      0.160680D+02           0.342495D+00     
  6      0.838046D+01           0.500000D+00     
  7      0.449542D+01           0.278630D+00     
S   5
  1      0.553605D+02           0.494352D-02     
  2      0.159876D+02          -0.740793D-01     
  3      0.758968D+01          -0.280410D+00     
  4      0.408928D+01          -0.201686D+00     
  5      0.238868D+01           0.500000D+00     
S   1
  1      0.113286D+01           1.0000000        
S   1
  1      0.518019D+00           1.0000000        
S   1
  1      0.160829D+00           1.0000000        
S   1
  1      0.711599D-01           1.0000000        
S   1
  1      0.290601D-01           1.0000000        
P   12
  1      0.337556D+05           0.164563D-04     
  2      0.806126D+04           0.144159D-03     
  3      0.266374D+04           0.812583D-03     
  4      0.104168D+04           0.355540D-02     
  5      0.455244D+03           0.127089D-01     
  6      0.212841D+03           0.408435D-01     
  7      0.104279D+03           0.105733D+00     
  8      0.539137D+02           0.225605D+00     
  9      0.293743D+02           0.366178D+00     
 10      0.163657D+02           0.500000D+00     
 11      0.901367D+01           0.456553D+00     
 12      0.494040D+01           0.222382D+00     
P   5
  1      0.720436D+02          -0.420685D-02     
  2      0.254513D+02          -0.288137D-01     
  3      0.107645D+02          -0.254245D-01     
  4      0.469424D+01           0.156271D+00     
  5      0.258200D+01           0.500000D+00     
P   1
  1      0.132833D+01           1.0000000        
P   1
  1      0.644468D+00           1.0000000        
P   1
  1      0.290194D+00           1.0000000        
P   1
  1      0.770000D-01           1.0000000        
D   8
  1      0.435329D+03           0.284461D-03     
  2      0.126740D+03           0.281950D-02     
  3      0.476621D+02           0.162361D-01     
  4      0.206550D+02           0.569326D-01     
  5      0.104847D+02           0.127463D+00     
  6      0.540122D+01           0.275670D+00     
  7      0.287023D+01           0.414223D+00     
  8      0.155339D+01           0.500000D+00     
D   1
  1      0.806228D+00           1.0000000        
D   1
  1      0.384444D+00           1.0000000        
D   1
  1      0.168839D+00           1.0000000        
D   1
  1      0.673057D-01           1.0000000        
F   1
  1      0.144960D+02           1.0000000        
F   1
  1      0.453000D+01           1.0000000        
F   1
  1      0.167800D+01           1.0000000        
F   1
  1      0.699000D+00           1.0000000        
F   1
  1      0.291000D+00           1.0000000        
G   1
  1      0.782900D+01           1.0000000        
G   1
  1      0.195700D+01           1.0000000        
G   1
  1      0.489000D+00           1.0000000        
H   1
  1      0.422800D+01           1.0000000        
H   1
  1      0.940000D+00           1.0000000        
I   1
  1      0.214200D+01           1.0000000        


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


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


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


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


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


