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# RCS #####################################################################
# $Id: p,v 1.5 1992/10/08 16:36:28 ansgar Exp $  
# $Log: p,v $
# Revision 1.5  1992/10/08  16:36:28  ansgar
# basis 'p (15s12p)[10s7p]' added
#
# Revision 1.4  1992/08/27  16:30:53  ansgar
# Basissatzverweise muessen das Elementsymbol enthalten.
#
# Revision 1.3  1992/08/14  11:27:12  chris
# comments to additional d-GTO
#
# Revision 1.2  1992/08/12  14:17:25  chris
# Polarisationsfunktionen SVP, DZP, TZP
#
# Revision 1.1  1992/04/28  11:06:54  cd02
# Initial revision
#
# RCS #####################################################################
$basis
#
#                   BASIS SET LIBRARY FOR PHOSPHOROUS
#                           (fully optimized)
#
###############################################################################
#       HF limit : E(4S) = -340.71878 a.u. (C. Froese Fischer, 1977)
###############################################################################
#       Roothaan parameters for P(4S) in symmetry I:
#        a = 1      b = 2
###############################################################################
#
*
p SV
# p     (10s7p) / [4s3p]     {5311/511}
# SCF energy is     -340.59736844515 a.u. (virial theorem =  1.999999999)
# A. Schaefer, Dec. 91
*
   5  s
  8002.4795106      .57503489302E-02
  1203.6813590      .43007628959E-01
  273.44227031      .19363986252
  76.655541517      .49651693399
  23.516927435      .44983262479
   3  s
  39.791683439      .95188129789E-01
  4.2770343323     -.57649840368
  1.6940256888     -.54239583865
   1  s
  .27567674644      1.0000000000
   1  s
  .10495590099      1.0000000000
   5  p
  219.50755823      .92100565257E-02
  51.274155030      .65409765745E-01
  15.921595892      .24033730279
  5.5069913481      .46318321788
  1.9537719426      .37392563382
   1  p
  .47803397932      1.0000000000
   1  p
  .13657952621      1.0000000000
*
p SVP
*
-> p SV
-> p P
*
p DZ
# p     (11s7p) / [6s4p]     {521111/4111}
# SCF energy is     -340.6881043463 a.u. (virial theorem =  2.000000001)
# H. Horn, Aug. 91
*
   5  s
  43629.146384      .60290694324E-03
  6544.9101761      .46551468038E-02
  1489.8784631      .23786703379E-01
  422.38300193      .90866640549E-01
  138.69747966      .24743794714
   2  s
  50.865386699      .45854747443
  19.826936819      .30750563013
   1  s
  4.5933029207      1.0000000000
   1  s
  1.7570187795      1.0000000000
   1  s
  .34358804778      1.0000000000
   1  s
  .12451452677      1.0000000000
   4  p
  215.97067949      .99703587825E-02
  50.428986942      .70614266037E-01
  15.653604009      .25773443022
  5.4085976775      .49153067625
   1  p
  1.9189363936      1.0000000000
   1  p
  .45420822084      1.0000000000
   1  p
  .13190937083      1.0000000000
*
p DZP
*
-> p DZ
-> p P
*
p TZ
# p     (12s9p) / [7s5p]     {5121111/51111}
# SCF energy is     -340.7119214717 a.u. (virial theorem =  2.000000000)
# H. Horn, Aug. 91
*
   5  s
  91049.049525      .25380174651E-03
  13649.248864      .19671239007E-02
  3105.9432074      .10216063035E-01
  878.25982630      .41399162020E-01
  284.63392907      .13375414976
   1  s
  101.20610005      1.0000000000
   2  s
  38.977841424      .45416113007
  16.048494073      .20742198000
   1  s
  4.7225339088      1.0000000000
   1  s
  1.7825221852      1.0000000000
   1  s
  .33962967880      1.0000000000
   1  s
  .12333859847      1.0000000000
   5  p
  528.44389328     -.22815190152E-02
  124.97149951     -.18183642042E-01
  39.795709248     -.83940700526E-01
  14.657544973     -.24604713872
  5.7578892754     -.43655667531
   1  p
  2.3123200955      1.0000000000
   1  p
  .88993780996      1.0000000000
   1  p
  .30467149910      1.0000000000
   1  p
  .10078153964      1.0000000000
*
p TZP
*
-> p TZ
-> p P
*
p P
# additional d-GTO
# Ref.: R. Ahlrichs 13.08.92, old library.
*
  1  d
  .45   1.00
*
p (9s7p)[4s3p]
# p     (9s7p) / [4s3p]     {5211/511}
# SCF energy is     -340.34939030770 a.u. (virial theorem =  2.000000002)
# A. Schaefer, Dec. 91
*
   5  s
  7976.3754800      .52836779371E-02
  1199.7551547      .39539899075E-01
  272.50867064      .17848754001
  76.148331470      .46583841026
  23.990722007      .42390135547
   2  s
  3.4708444076      .62325721134
  1.2923582871      .28464737294
   1  s
  .27739550056      1.0000000000
   1  s
  .10526505630      1.0000000000
   5  p
  219.65379288     -.10098108006E-01
  51.297620058     -.71786781442E-01
  15.935711289     -.26364409155
  5.5116123346     -.50827978929
  1.9569680369     -.40974835985
   1  p
  .47947968153      1.0000000000
   1  p
  .13710944627      1.0000000000
*
p (11s7p)[4s3p]
# p     (11s7p) / [4s3p]     {6311/511}
# SCF energy is     -340.65599976972 a.u. (virial theorem =  1.999999997)
# A. Schaefer, Dec. 91
*
   6  s
  19214.317046      .77592559900E-03
  2885.3460300      .59372913250E-02
  656.43908261      .29270325459E-01
  185.08910375      .10013365948
  59.789952057      .19873437681
  20.380308453      .14306725465
   3  s
  39.579651109      .88686643717E-01
  4.2720934536     -.54142546334
  1.6839724920     -.50167277785
   1  s
  .26932030659      1.0000000000
   1  s
  .99198806830E-01  1.0000000000
   5  p
  219.46316322      .92127788348E-02
  51.264595470      .65424849166E-01
  15.919236238      .24035619389
  5.5064516924      .46316613290
  1.9536368108      .37381612091
   1  p
  .47791391736      1.0000000000
   1  p
  .13654488749      1.0000000000
*
p (10s6p)[4s3p]
# p     (10s6p) / [4s3p]     {5311/411}
# SCF energy is     -340.54919934161 a.u. (virial theorem =  2.000000003)
# A. Schaefer, Dec. 91
*
   5  s
  8004.1953313      .57494292521E-02
  1203.9391150      .43001123532E-01
  273.50652204      .19360987915
  76.673234669      .49653151449
  23.521430811      .44994625466
   3  s
  39.786486262      .95261596167E-01
  4.2822269087     -.57527828964
  1.6972085056     -.54388799223
   1  s
  .27625350876      1.0000000000
   1  s
  .10631313231      1.0000000000
   4  p
  112.65492830      .31316976605E-01
  25.858957756      .19295553048
  7.6810455434      .52216746140
  2.4268815709      .56476941396
   1  p
  .54048790610      1.0000000000
   1  p
  .15178012050      1.0000000000
*
p (10s8p)[4s3p]
# p     (10s8p) / [4s3p]     {5311/611}
# SCF energy is     -340.60764248414 a.u. (virial theorem =  2.000000006)
# A. Schaefer, Dec. 91
*
   5  s
  8002.8481278      .57502482310E-02
  1203.7384838      .43006710219E-01
  273.45666068      .19363725001
  76.658383893      .49653485668
  23.517197046      .44987011978
   3  s
  39.793914082      .95165998053E-01
  4.2761798309     -.57663513010
  1.6935834874     -.54209738930
   1  s
  .27557329144      1.0000000000
   1  s
  .10469083787      1.0000000000
   6  p
  411.12180001      .38561984515E-02
  97.010778796      .29905136065E-01
  30.712805906      .13142904980
  11.184746016      .34895281114
  4.2889957556      .53215822995
  1.6600779974      .34345875731
   1  p
  .46707418707      1.0000000000
   1  p
  .13339649891      1.0000000000
*
p (13s10p)[8s6p]
# p     (13s10p) / [8s6p]     {61111111/511111}
# SCF energy is     -340.7152559192 a.u. (virial theorem =  2.000000000)
# H. Horn, Aug. 91
*
   6  s
  233709.52138     -.15214441165E-03
  35016.330124     -.11816750254E-02
  7968.4601781     -.61873541889E-02
  2254.8372521     -.25765415158E-01
  732.18289369     -.90318144220E-01
  260.00910023     -.26651289194
   1  s
  97.802128738      1.0000000000
   1  s
  38.790246707      1.0000000000
   1  s
  16.103777577      1.0000000000
   1  s
  4.8529982329      1.0000000000
   1  s
  1.8133567853      1.0000000000
   1  s
  .33698195220      1.0000000000
   1  s
  .12302256400      1.0000000000
   5  p
  836.17881979      .10392641808E-02
  198.13202102      .86250336976E-02
  63.644853517      .42678261848E-01
  23.743841161      .14400712774
  9.6243304349      .31979624826
   1  p
  4.0238626676      1.0000000000
   1  p
  1.6912715410      1.0000000000
   1  p
  .58744488692      1.0000000000
   1  p
  .22698744835      1.0000000000
   1  p
  .83335006147E-01  1.0000000000
*
p (15s12p)[10s7p]
# p     (15s12p) / [10s7p]     {6111111111/6111111}
# SCF energy is     -340.7181726894 a.u. (virial theorem =  2.000000013)
# A. Schaefer, Oct. 92
*
   6  s
  561557.20687      .30682448224E-04
  84013.654074      .23900396739E-03
  19095.590882      .12565748534E-02
  5405.0469480      .52773074560E-02
  1762.2518102      .18883505402E-01
  634.58548922      .58799385671E-01
   1  s
  245.72276086      1.0000000000
   1  s
  100.62940563      1.0000000000
   1  s
  43.094276161      1.0000000000
   1  s
  18.833698282      1.0000000000
   1  s
  6.8319094658      1.0000000000
   1  s
  3.0821107780      1.0000000000
   1  s
  1.3805386253      1.0000000000
   1  s
  .33830598518      1.0000000000
   1  s
  .12024711082      1.0000000000
   6  p
  2227.1309170      .20559880475E-03
  526.47809375      .18006490756E-02
  170.69306329      .98264624111E-02
  64.808434365      .39105329669E-01
  27.070833077      .11865177421
  12.005902376      .26354934134
   1  p
  5.4598894501      1.0000000000
   1  p
  2.5123390482      1.0000000000
   1  p
  1.1518272435      1.0000000000
   1  p
  .47006508541      1.0000000000
   1  p
  .18847598979      1.0000000000
   1  p
  .73286596499E-01  1.0000000000
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 9s7p  <---
# SCF energy is     -340.6308407339 a.u. (virial theorem =  2.000000000)
# A. Schaefer, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    9161.8015692      .46901886614E-02  .12722374608E-02  .34991530947E-03
#    1377.6765067      .35179253233E-01  .97842477427E-02  .26997894443E-02
#    313.07146414      .16098629071      .46483231651E-01  .12846570276E-01
#    87.585183958      .43659239725      .15464779268      .43621750888E-01
#    27.370912140      .46920652269      .24410985758      .71358127107E-01
#    5.4733749544      .60842612815E-01 -.39086186377     -.13557705971
#    2.0553454390     -.18610732142E-01 -.70391032490     -.41278714127
#    .35666460982      .56434909987E-02 -.60018186073E-01  .52299393357
#    .13556901147     -.25919368156E-02  .18151195621E-01  .63717470907
#  eigenvalue        -79.9338522        -7.5013941         -.6924261
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    213.51143165      .99011833968E-02 -.23277696799E-02
#    49.842784391      .69895309442E-01 -.17278278452E-01
#    15.466634200      .25389576308     -.61766794366E-01
#    5.3452985884      .47804650846     -.13228500099
#    1.8997265480      .37388339365     -.69737873651E-01
#    .43895352705      .35986682191E-01  .49108899404
#    .12922841192     -.61960298983E-02  .62905337272
#  eigenvalue         -5.3925073         -.3879035
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 10s6p  <---
# SCF energy is     -340.6298526863 a.u. (virial theorem =  2.000000000)
# A. Schaefer, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    21942.182430      .15845032926E-02 -.43302216204E-03  .11882739885E-03
#    3294.4771041      .12154114296E-01 -.32936946192E-02  .90403957453E-03
#    749.73965895      .60161915220E-01 -.17053847826E-01  .46923599633E-02
#    211.67881984      .21008401449     -.62128711618E-01  .17194028684E-01
#    68.219496751      .44920347161     -.17254230509      .48710136150E-01
#    23.636798800      .38716099640     -.20821726273      .61543385713E-01
#    5.1982063949      .41078993543E-01  .45386102253     -.16260526036
#    1.9368200242     -.11011270712E-01  .65660822396     -.39377320552
#    .34536197619      .32957791677E-02  .47445728454E-01  .57412387028
#    .12910302181     -.14825835514E-02 -.13508181604E-01  .59359250463
#  eigenvalue        -79.9530387        -7.4965751         -.6886075
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    112.83962764     -.27566638959E-01  .67005875556E-02
#    25.905712673     -.16981600250      .41998968900E-01
#    7.6943215692     -.45941641933      .12044779184
#    2.4313973592     -.49788459912      .12875714919
#    .54344494553     -.71452711072E-01 -.38133347319
#    .15198853943      .12280915242E-01 -.73919736433
#  eigenvalue         -5.3783989         -.3838361
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 10s7p  <---
# SCF energy is     -340.6790809255 a.u. (virial theorem =  2.000000000)
# A. Schaefer, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    21931.025192      .15854768065E-02 -.43329860650E-03 -.11904341734E-03
#    3292.8059714      .12161517824E-01 -.32955693439E-02 -.90582149004E-03
#    749.36211530      .60195539086E-01 -.17064824361E-01 -.47004093750E-02
#    211.56699742      .21019949335     -.62157232747E-01 -.17228767564E-01
#    68.180470439      .44929992479     -.17264784486     -.48782620687E-01
#    23.623290936      .38700150730     -.20801856071     -.61627964028E-01
#    5.1876209316      .40968957556E-01  .45562319146      .16394764483
#    1.9322238688     -.10971627686E-01  .65539274375      .39317187830
#    .34143699348      .32596171008E-02  .46696295285E-01 -.59080366820
#    .12712986717     -.14670085858E-02 -.13393570995E-01 -.57768257761
#  eigenvalue        -79.9571830        -7.5044309         -.6928463
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    213.45107566     -.99065301182E-02 -.23293027693E-02
#    49.827839299     -.69926948480E-01 -.17288149240E-01
#    15.463895954     -.25392753833     -.61781838797E-01
#    5.3443026067     -.47816443582     -.13234057189
#    1.8989990791     -.37376739448     -.69634975709E-01
#    .43856087403     -.35896446044E-01  .49199103269
#    .12905909682      .61828078739E-02  .62824367301
#  eigenvalue         -5.3936698         -.3881457
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 10s8p (uncontracted)  <---
# SCF energy is     -340.6906581098 a.u. (virial theorem =  2.000000000)
# A. Schaefer, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    21929.808627     -.15855807240E-02 -.43332804514E-03  .11910940485E-03
#    3292.6232604     -.12162294668E-01 -.32958110214E-02  .90640088586E-03
#    749.32161494     -.60198670382E-01 -.17065746053E-01  .47027679173E-02
#    211.56011137     -.21020110119     -.62158061006E-01  .17239667302E-01
#    68.178496660     -.44930830223     -.17265338114      .48802531045E-01
#    23.622168766     -.38699367991     -.20801851416      .61680533913E-01
#    5.1877227987     -.40954293710E-01  .45561580236     -.16414655000
#    1.9321434732      .10955337424E-01  .65546043755     -.39313611029
#    .34044723036     -.32488059186E-02  .46688127525E-01  .59476889263
#    .12670946849      .14632511980E-02 -.13446091966E-01  .57377825744
#  eigenvalue        -79.9583692        -7.5063716         -.6941313
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    370.42644341      .39503152096E-02  .95984602293E-03
#    87.323619337      .30253870795E-01  .71124123106E-02
#    27.598207252      .12940271393      .32672824303E-01
#    10.009207951      .32731701778      .79504292154E-01
#    3.8284573433      .45689825484      .13495231377
#    1.4963292957      .25345179224      .94859401150E-02
#    .39279092769      .17071756421E-01 -.53654789146
#    .11887066776     -.21139114847E-02 -.57035204966
#  eigenvalue         -5.3972685         -.3893980
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 11s7p (uncontracted)  <---
# SCF energy is     -340.6929136687 a.u. (virial theorem =  2.000000000)
# derived from Huzinaga 11s/7p  E(4S)=-340.68948398319
# A. Schaefer, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    48591.210153      .58898637567E-03  .15911893277E-03 -.43705723753E-04
#    7288.6555579      .45450968600E-02  .12485846975E-02 -.34267731858E-03
#    1659.0827231      .23316166979E-01  .63403487573E-02 -.17444066852E-02
#    469.66561665      .89934740034E-01  .26050377028E-01 -.71734653598E-02
#    152.79506969      .25565512163      .78124027818E-01 -.21755474437E-01
#    54.699570667      .44376135926      .18570452930     -.52667033094E-01
#    20.642993114      .31163833164      .16981312362     -.51082505448E-01
#    5.0516727369      .28150274556E-01 -.48729021489      .17804119485
#    1.8761880979     -.62401519770E-02 -.63098402919      .38372294605
#    .33868751574      .18308884054E-02 -.41408651526E-01 -.60941395793
#    .12484876317     -.81341779253E-03  .11387264274E-01 -.56284391548
#  eigenvalue        -79.9637266        -7.5054301         -.6929395
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    213.42807118      .99083353777E-02  .23298573434E-02
#    49.825068577      .69928911492E-01  .17289531620E-01
#    15.463999012      .25392961872      .61785823224E-01
#    5.3440102778      .47822895014      .13236678493
#    1.8987218202      .37372072504      .69599556163E-01
#    .43843955424      .35866250542E-01 -.49227661558
#    .12900986786     -.61786376628E-02 -.62798358702
#  eigenvalue         -5.3940635         -.3882169
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 12s9p (uncontracted)  <---
# SCF energy is     -340.7128561707 a.u. (virial theorem =  2.000000000)
# derived from Huzinaga 12s/9p  E(4S) = -340.71214
# H. Horn, Aug. 91
###############################################################################
#    exponents        coefficients
#                      1s             2s             3s
#    95361.414      .25380502E-03 -.69228656E-04  .18997658E-04
#    14295.771      .19686566E-02 -.53167550E-03  .14627664E-03
#    3253.9281      .10206445E-01 -.28177304E-02  .77282259E-03
#    921.54524      .41291574E-01 -.11345114E-01  .31315765E-02
#    300.53972      .13165131     -.39180362E-01  .10792102E-01
#    108.34683      .30857405     -.99580792E-01  .27985725E-01
#    42.216834      .42122195     -.19811266      .56451546E-01
#    17.282597      .22298784     -.11501971      .35873033E-01
#    4.8590963      .16419157E-01  .51848672     -.19337676
#    1.8182336     -.25476476E-02  .60199232     -.37228498
#    .33699684      .74976962E-03  .36890147E-01  .62552906
#    .12310373     -.33180917E-03 -.97291359E-02  .55050935
#  eigenvalue     -79.9676983     -7.5092164      -.6955412
#  occupation       2.0000000      2.0000000      2.0000000
#                      2p             3p
#    505.69962     -.23322239E-02  .55387791E-03
#    119.55135     -.18497958E-01  .44490821E-02
#    38.032919     -.84696203E-01  .20560812E-01
#    13.984286     -.24396802      .61611951E-01
#    5.4720176     -.42229781      .10871566
#    2.1836277     -.36909954      .10598251
#    .80514250     -.77968098E-01 -.15160999
#    .28905064      .36940977E-02 -.57586447
#    .97593205E-01 -.15812489E-02 -.42516931
#  eigenvalue      -5.3993770      -.3909584
#  occupation    3 *2.0000000   3 *1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 13s10p (uncontracted)  <---
# SCF energy is     -340.7163788543 a.u. (virial theorem =  2.000000000)
# H. Horn, Aug. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    148963.81526     -.14549578925E-03  .39478993242E-04  .10860310961E-04
#    22324.354341     -.11289227799E-02  .30725928635E-03  .84140800206E-04
#    5080.6694528     -.58914510189E-02  .16039890090E-02  .44234919311E-03
#    1438.4728247     -.24208778179E-01  .66949955637E-02  .18315210232E-02
#    468.73460293     -.81358331568E-01  .23111080969E-01  .64151913097E-02
#    168.57759227     -.21493827359      .66746366648E-01  .18372423119E-01
#    65.087222388     -.39148128787      .14672352066      .42047489603E-01
#    26.330435613     -.35423547698      .20493959159      .58684070318E-01
#    10.335204184     -.79731666618E-01 -.32281541979E-01 -.58056710521E-02
#    4.1123878833      .21308846381E-02 -.57918431205     -.23487462719
#    1.6420258517     -.17634471494E-02 -.49967867947     -.32700587408
#    .33944413364      .39251963745E-03 -.26182017787E-01  .64034824255
#    .12190935536     -.14533927673E-03  .58662785545E-02  .54536642524
#  eigenvalue        -79.9687443        -7.5105130         -.6959853
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    828.02131555      .10021272325E-02 -.23720868533E-03
#    196.19777253      .83066848277E-02 -.19951254520E-02
#    63.017563980      .41045923076E-01 -.98416148291E-02
#    23.513096880      .13786479259     -.34303415870E-01
#    9.5352507886      .30443566774     -.76404085339E-01
#    3.9908312012      .41750888875     -.11433698515
#    1.6819605903      .27273115591     -.57714461163E-01
#    .59219413979      .36203136056E-01  .26960695706
#    .22791454989     -.35545421436E-02  .56176984936
#    .83495468774E-01  .11897687512E-02  .31810629167
#  eigenvalue         -5.4004155         -.3913827
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 15s12p (uncontracted)  <---
# SCF energy is     -340.7182420479 a.u. (virial theorem =  2.000000000)
# H. Horn, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    517832.32443      .30686288772E-04 -.83394249653E-05 -.22957455311E-05
#    77562.871872      .23854664319E-03 -.64699597807E-04 -.17705035083E-04
#    17651.744091      .12518615432E-02 -.34098459503E-03 -.94132040509E-04
#    4999.3162154      .52530767846E-02 -.14293799447E-02 -.39017775393E-03
#    1630.6843115      .18720055332E-01 -.51706002175E-02 -.14333874300E-02
#    588.52144021      .57602666062E-01 -.16192098022E-01 -.44165036791E-02
#    229.30546852      .14851711705     -.44649878461E-01 -.12526034046E-01
#    94.794563644      .29656761909     -.10027289290     -.27597715634E-01
#    41.043428661      .38004832525     -.17480628684     -.51655218497E-01
#    18.156078032      .21990828478     -.13719824704     -.38249439915E-01
#    6.7100873808      .26322257247E-01  .24231297551      .72163091178E-01
#    3.0174567373     -.31948953652E-02  .58479176463      .28608831045
#    1.3595477194      .14568085422E-02  .32277642838      .22589211307
#    .33781152186     -.31665826172E-03  .14119213567E-01 -.66132387817
#    .12004975208      .99437748016E-04 -.22918774593E-02 -.53275929860
#  eigenvalue        -79.9694729        -7.5109065         -.6961767
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    2023.2066141     -.21338948234E-03  .50533805701E-04
#    479.43928813     -.18551566278E-02  .44361599864E-03
#    155.42169629     -.10061715059E-01  .23959249826E-02
#    58.920498550     -.39572084532E-01  .95992469116E-02
#    24.587837072     -.11728565169      .28766759194E-01
#    10.902634505     -.24939562657      .63567292682E-01
#    4.9715086275     -.36411928581      .93701853691E-01
#    2.3045038272     -.31780508602      .94187703236E-01
#    1.0636789186     -.10914612531     -.47449242714E-01
#    .43614736354     -.67829837160E-02 -.37322388643
#    .17782179325     -.41370395222E-03 -.51168594313
#    .70462370140E-01  .79796256550E-05 -.21725755125
#  eigenvalue         -5.4007786         -.3915486
#  occupation      3 * 2.0000000     3 * 1.0000000
###############################################################################
*
###############################################################################
# atomic SCF calculation of --->  P(4S) 17s12p (uncontracted)  <---
# SCF energy is     -340.7186001241 a.u. (virial theorem =  2.000000000)
# H. Horn, Dec. 91
###############################################################################
#     exponents         coefficients
#                         1s                2s                3s
#    1087618.2529     -.12142449664E-04 -.32952587631E-05 -.90465080634E-06
#    162875.59845     -.94395292614E-04 -.25653483451E-04 -.70539499592E-05
#    37066.293592     -.49622262177E-03 -.13466914581E-03 -.36946300462E-04
#    10498.468557     -.20900040747E-02 -.56950238365E-03 -.15673984408E-03
#    3424.7291337     -.75489230025E-02 -.20598523470E-02 -.56495894900E-03
#    1236.1905007     -.24010423937E-01 -.66552316511E-02 -.18358951181E-02
#    481.97018852     -.67231473697E-01 -.19080469623E-01 -.52457838969E-02
#    199.62885303     -.15978669881     -.48628596333E-01 -.13541954129E-01
#    86.725685949     -.29735906782     -.10288764704     -.28728648137E-01
#    39.105450864     -.36187171850     -.16953739256     -.49318428904E-01
#    17.901124330     -.20608311800     -.13205075714     -.38841570988E-01
#    7.1836284428     -.26918141148E-01  .19919407187      .63765259726E-01
#    3.2795978915      .20693666250E-02  .56857854927      .24726622376
#    1.4824054658     -.13516911940E-02  .37200077799      .28938641534
#    .47597383833      .47144632755E-03  .27931201580E-01 -.29565252880
#    .21665640186     -.25471130931E-03 -.57629230439E-02 -.64619652869
#    .90384668229E-01  .74007705506E-04  .15115623633E-02 -.26936457206
#  eigenvalue        -79.9696269        -7.5110229         -.6963644
#  occupation          2.0000000         2.0000000         2.0000000
#                         2p                3p
#    2022.1059153      .21359172406E-03 -.50579014178E-04
#    479.17821996      .18568771399E-02 -.44405869599E-03
#    155.33646261      .10070690115E-01 -.23979374686E-02
#    58.887261568      .39605153679E-01 -.96080872418E-02
#    24.574101978      .11736067844     -.28783522986E-01
#    10.896691553      .24950540642     -.63603820069E-01
#    4.9684615553      .36421287984     -.93714129722E-01
#    2.3030643087      .31764127123     -.94164796048E-01
#    1.0631272743      .10899358496      .47495685129E-01
#    .43678801794      .67692147340E-02  .37185041420
#    .17824949862      .42205125462E-03  .51244174335
#    .70431189280E-01 -.72327827578E-05  .21798195943
#  eigenvalue         -5.4008827         -.3916666
#  occupation      3 * 2.0000000     3 * 1.0000000
##############################################################################
*
#============================== EHT start vectors ============================#
$ehtdef    definitions=  1
4S(DZ)   basis=p DZ
$ehtao
*
4S(DZ)   ehtdata   (4d20.14)
# SCF energy is     -340.6881043463 a.u.
#
     1  s      eigenvalue=-.79963764702506D+02   nsaos=6
 .37655058422999D+00 .69884913956161D+00 .24599790493340D-01-.62762880564319D-02
 .18411737630681D-02-.78237214861911D-03
     2  s      eigenvalue=-.75050084415152D+01   nsaos=6
-.11038721758810D+00-.32336766324327D+00 .54471897991154D+00 .56614668086166D+00
 .33357663585456D-01-.81955694662533D-02
     3  s      eigenvalue=-.69261551185257D+00   nsaos=6
-.30469523979518D-01-.93842879170687D-01 .20395497301436D+00 .36198609998749D+00
-.61608974240698D+00-.56509279036169D+00
     1  p      eigenvalue=-.53950260434868D+01   nsaos=4
-.71371405074847D+00-.37716936327816D+00-.37557877900382D-01 .61270678578311D-02
     2  p      eigenvalue=-.38780604083638D+00   nsaos=4
-.18364852963969D+00-.83031763146665D-01 .48028394219880D+00 .64469038486263D+00
$end 
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