# BSE Version 0.11.dev17+g4fabcd53
# Data downloaded on 2024-11-21T16:45
# sigmaSZHF version number 1
# Description: sigmaSZHF basis for Hellmann-Feynman forces
# Role: orbital
# 
#  If you downloaded data from the basis set
#  exchange or used the basis set exchange python library, please cite:
# 
# pritchard2019a
#     Pritchard, Benjamin P., Altarawy, Doaa, Didier, Brett, Gibsom, Tara
#             D., Windus, Theresa L.
#     A New Basis Set Exchange: An Open, Up-to-date Resource for the
#             Molecular Sciences Community
#     J. Chem. Inf. Model. 59, 4814-4820 (2019)
#     10.1021/acs.jcim.9b00725
# 
# feller1996a
#     Feller, David
#     The role of databases in support of computational chemistry
#             calculations
#     J. Comput. Chem. 17, 1571-1586 (1996)
#     10.1002/(SICI)1096-987X(199610)17:13<1571::AID-JCC9>3.0.CO;2-P
# 
# schuchardt2007a
#     Schuchardt, Karen L., Didier, Brett T., Elsethagen, Todd, Sun, Lisong,
#             Gurumoorthi, Vidhya, Chase, Jared, Li, Jun, Windus, Theresa L.
#     Basis Set Exchange: A Community Database for Computational Sciences
#     J. Chem. Inf. Model. 47, 1045-1052 (2007)
#     10.1021/ci600510j
# 
# 
#  References for the basis set
# 
#  H,C-F,P-Cl
#      sigmaSZHF basis for Hellmann-Feynman forces
#          pathak2023a
# 
# 
# 
# pathak2023a
#     Pathak, Shivesh, López, Ignacio Ema, Lee, Alex J., Brickner, William
#             P., Fernández, Rafael López, Lehtola, Susi, Rackers, Joshua A.
#     Accurate Hellmann-Feynman forces from density functional calculations
#             with augmented Gaussian basis sets
#     J. Chem. Phys. 158, 014104 (2023)
#     10.1063/5.0130668
# 
# # 
basis "H_sigmaSZHF" SPHERICAL 
#basis SET: (10s,10p) -> [1s,1p]
H    S
   5485.0000                 0.7873141211E-05
    803.5000                 0.1005373691E-03
    175.7000                 0.4292024755E-03
     49.6700                 0.2200613235E-02
     14.5300                 0.8841987258E-02
      4.7790                 0.3294500119E-01
      1.6430                 0.1062260658E+00
      0.5976                 0.2801965369E+00
      0.2213                 0.4671466788E+00
      0.0834                 0.2454942184E+00
H    P
   5485.0000                -0.1004417320E-02
    803.5000                -0.4934215382E-02
    175.7000                -0.9853605017E-02
     49.6700                -0.2686513945E-01
     14.5300                -0.5833687736E-01
      4.7790                -0.1247454189E+00
      1.6430                -0.2357461008E+00
      0.5976                -0.3751207438E+00
      0.2213                -0.3805303567E+00
      0.0834                -0.1227743251E+00
end
basis "C_sigmaSZHF" SPHERICAL 
#basis SET: (45s,45p,10d) -> [3s,3p,1d]
C    S
 185400.0000                 0.1089414017E-04
  27720.0000                 0.8509854493E-04
   6281.0000                 0.4516260837E-03
   1759.0000                 0.1942576629E-02
    563.5000                 0.7222961228E-02
    198.8000                 0.2371921596E-01
     75.7700                 0.6746728314E-01
     31.0200                 0.1569796423E+00
     13.6200                 0.2765218654E+00
      6.3620                 0.3421273857E+00
      3.0130                 0.2393668578E+00
      1.3150                 0.4386367502E-01
      0.5213                -0.6497545068E-02
      0.2032                -0.5589086586E-02
      0.0781                -0.1536297615E-02
C    S
 185400.0000                 0.2177771933E-05
  27720.0000                 0.1720717049E-04
   6281.0000                 0.9141186249E-04
   1759.0000                 0.3909426106E-03
    563.5000                 0.1471208055E-02
    198.8000                 0.4849309181E-02
     75.7700                 0.1426170560E-01
     31.0200                 0.3465175651E-01
     13.6200                 0.6983122181E-01
      6.3620                 0.1082901078E+00
      3.0130                 0.1339436026E+00
      1.3150                -0.3823571801E-01
      0.5213                -0.4511349081E+00
      0.2032                -0.5400829278E+00
      0.0781                -0.1094902288E+00
C    S
 185400.0000                 0.9016890995E-05
  27720.0000                -0.2900792587E-03
   6281.0000                -0.3019031646E-03
   1759.0000                -0.5807586039E-02
    563.5000                -0.7283170273E-02
    198.8000                -0.2776906209E-01
     75.7700                -0.8562217258E-01
     31.0200                -0.1801848902E+00
     13.6200                -0.2994279101E+00
      6.3620                -0.2300797305E+00
      3.0130                 0.2809695224E+00
      1.3150                 0.8401233054E+00
      0.5213                 0.1968926474E+00
      0.2032                -0.4607877383E+00
      0.0781                -0.3828537790E+00
C    P
 185400.0000                 0.1352269952E-02
  27720.0000                 0.4104194288E-02
   6281.0000                 0.1039100019E-01
   1759.0000                 0.2361095559E-01
    563.5000                 0.4983505739E-01
    198.8000                 0.9724297743E-01
     75.7700                 0.1717746315E+00
     31.0200                 0.2577372152E+00
     13.6200                 0.3091000445E+00
      6.3620                 0.2743824365E+00
      3.0130                 0.1538145523E+00
      1.3150                -0.1977303449E-01
      0.5213                -0.1255057875E+00
      0.2032                -0.1042655760E+00
      0.0781                -0.2465893502E-01
C    P
 185400.0000                -0.1947340741E-02
  27720.0000                -0.5812191027E-02
   6281.0000                -0.1480677927E-01
   1759.0000                -0.3390454507E-01
    563.5000                -0.6955040587E-01
    198.8000                -0.1339472648E+00
     75.7700                -0.2151914945E+00
     31.0200                -0.2761099967E+00
     13.6200                -0.1554572809E+00
      6.3620                 0.1774383323E+00
      3.0130                 0.7062244688E+00
      1.3150                 0.2339830378E+00
      0.5213                -0.5899541358E+00
      0.2032                -0.1688285997E+00
      0.0781                 0.2769532889E+00
C    P
 185400.0000                 0.1100209217E-07
  27720.0000                -0.5613879034E-08
   6281.0000                 0.4922971686E-08
   1759.0000                 0.2302675453E-08
    563.5000                -0.1038710991E-07
    198.8000                -0.2235898470E-03
     75.7700                -0.6889657459E-03
     31.0200                -0.3334820154E-02
     13.6200                -0.9758079976E-02
      6.3620                -0.2781524909E-01
      3.0130                -0.7210129398E-01
      1.3150                -0.2035461975E+00
      0.5213                -0.3741343884E+00
      0.2032                -0.3891270833E+00
      0.0781                -0.1682006039E+00
C    D
    198.8000                -0.4507778686E-02
     75.7700                -0.8596047812E-02
     31.0200                -0.2656388147E-01
     13.6200                -0.5151423292E-01
      6.3620                -0.1003878813E+00
      3.0130                -0.1790341199E+00
      1.3150                -0.3339381637E+00
      0.5213                -0.3864650680E+00
      0.2032                -0.2509552518E+00
      0.0781                -0.6723394988E-01
end
basis "N_sigmaSZHF" SPHERICAL 
#basis SET: (45s,45p,10d) -> [3s,3p,1d]
N    S
 218400.0000                -0.1331078264E-04
  32650.0000                -0.1023504063E-03
   7390.0000                -0.5445077176E-03
   2069.0000                -0.2350226333E-02
    662.2000                -0.8716579696E-02
    234.5000                -0.2818441249E-01
     89.7900                -0.7951313852E-01
     36.1600                -0.1908164354E+00
     14.9000                -0.3528151325E+00
      6.2210                -0.3743336005E+00
      2.5510                -0.1211946569E+00
      1.0120                 0.5180987215E-02
      0.3996                 0.3401458239E-02
      0.1646                 0.4923494161E-02
      0.0697                -0.3538415097E-03
N    S
 218400.0000                -0.2705956537E-05
  32650.0000                -0.2148108074E-04
   7390.0000                -0.1129096706E-03
   2069.0000                -0.4940485722E-03
    662.2000                -0.1812416013E-02
    234.5000                -0.6025767591E-02
     89.7900                -0.1727320785E-01
     36.1600                -0.4501701584E-01
     14.9000                -0.9611380478E-01
      6.2210                -0.1560007816E+00
      2.5510                -0.6579142050E-01
      1.0120                 0.3186431198E+00
      0.3996                 0.5582826251E+00
      0.1646                 0.2641116531E+00
      0.0697                 0.1578633200E-01
N    S
 218400.0000                 0.6702174849E-04
  32650.0000                -0.5103176012E-03
   7390.0000                -0.3529363171E-03
   2069.0000                -0.6981492755E-02
    662.2000                -0.1086162284E-01
    234.5000                -0.3174986903E-01
     89.7900                -0.1103459866E+00
     36.1600                -0.2221088325E+00
     14.9000                -0.3734330185E+00
      6.2210                -0.2690762411E-01
      2.5510                 0.7937229925E+00
      1.0120                 0.5015892084E+00
      0.3996                -0.3245587439E+00
      0.1646                -0.4350343682E+00
      0.0697                -0.1271192259E+00
N    P
 218400.0000                 0.1426965888E-02
  32650.0000                 0.4372500576E-02
   7390.0000                 0.1097351418E-01
   2069.0000                 0.2514456684E-01
    662.2000                 0.5262408503E-01
    234.5000                 0.1021608470E+00
     89.7900                 0.1792488517E+00
     36.1600                 0.2806852317E+00
     14.9000                 0.3508751736E+00
      6.2210                 0.2880583650E+00
      2.5510                 0.6456801879E-01
      1.0120                -0.1258043653E+00
      0.3996                -0.1384523119E+00
      0.1646                -0.4551216023E-01
      0.0697                -0.2755721758E-02
N    P
 218400.0000                -0.2416644855E-02
  32650.0000                -0.6739783944E-02
   7390.0000                -0.1747481343E-01
   2069.0000                -0.3891983631E-01
    662.2000                -0.8358538387E-01
    234.5000                -0.1500221485E+00
     89.7900                -0.2506738419E+00
     36.1600                -0.2892441656E+00
     14.9000                -0.1189538102E+00
      6.2210                 0.5606983995E+00
      2.5510                 0.5977702178E+00
      1.0120                -0.4185881925E+00
      0.3996                -0.4032122667E+00
      0.1646                 0.1847066406E+00
      0.0697                 0.1031884296E+00
N    P
 218400.0000                -0.5002289019E-08
  32650.0000                 0.1385027660E-07
   7390.0000                -0.1339525343E-07
   2069.0000                 0.1900542743E-07
    662.2000                -0.9141316947E-08
    234.5000                -0.3072205942E-03
     89.7900                -0.1016285146E-02
     36.1600                -0.4801576262E-02
     14.9000                -0.1740135308E-01
      6.2210                -0.5683772561E-01
      2.5510                -0.1654680513E+00
      1.0120                -0.3322242922E+00
      0.3996                -0.3904712313E+00
      0.1646                -0.2403061212E+00
      0.0697                -0.4763953648E-01
N    D
    234.5000                -0.5491867079E-02
     89.7900                -0.1125906375E-01
     36.1600                -0.3370912842E-01
     14.9000                -0.7844328534E-01
      6.2210                -0.1655301680E+00
      2.5510                -0.3085945857E+00
      1.0120                -0.3902550137E+00
      0.3996                -0.2882201380E+00
      0.1646                -0.1138551311E+00
      0.0697                -0.1467129931E-01
end
basis "O_sigmaSZHF" SPHERICAL 
#basis SET: (45s,45p,10d) -> [3s,3p,1d]
O    S
 250600.0000                -0.1549744449E-04
  37410.0000                -0.1210656387E-03
   8487.0000                -0.6400118212E-03
   2380.0000                -0.2748796275E-02
    765.1000                -0.1008319110E-01
    271.6000                -0.3266210680E-01
    103.3000                -0.9211176429E-01
     41.5900                -0.2121260479E+00
     17.4400                -0.3599946090E+00
      7.5080                -0.3394356307E+00
      3.1880                -0.9882890225E-01
      1.3280                -0.3023578352E-02
      0.5483                -0.7405681655E-02
      0.2305                -0.1756547773E-02
      0.0967                -0.4266243897E-03
O    S
 250600.0000                -0.3668144492E-05
  37410.0000                -0.2879907857E-04
   8487.0000                -0.1515540016E-03
   2380.0000                -0.6547127721E-03
    765.1000                -0.2402889432E-02
    271.6000                -0.7926201680E-02
    103.3000                -0.2295934417E-01
     41.5900                -0.5729179075E-01
     17.4400                -0.1142713401E+00
      7.5080                -0.1631036433E+00
      3.1880                -0.4324656638E-01
      1.3280                 0.3209569106E+00
      0.5483                 0.5329839177E+00
      0.2305                 0.2755041232E+00
      0.0967                 0.2118085905E-01
O    S
 250600.0000                 0.4965445153E-05
  37410.0000                -0.5239477578E-03
   8487.0000                -0.4779800337E-03
   2380.0000                -0.8985011120E-02
    765.1000                -0.1279705270E-01
    271.6000                -0.3958619476E-01
    103.3000                -0.1333584988E+00
     41.5900                -0.2552294762E+00
     17.4400                -0.3714469353E+00
      7.5080                 0.8910213940E-01
      3.1880                 0.8020883558E+00
      1.3280                 0.4167591384E+00
      0.5483                -0.3112432111E+00
      0.2305                -0.4044336820E+00
      0.0967                -0.1583242116E+00
O    P
 250600.0000                 0.1627192136E-02
  37410.0000                 0.4978975641E-02
   8487.0000                 0.1252702465E-01
   2380.0000                 0.2845448708E-01
    765.1000                 0.5925169340E-01
    271.6000                 0.1148579322E+00
    103.3000                 0.2012103930E+00
     41.5900                 0.3006148281E+00
     17.4400                 0.3465610032E+00
      7.5080                 0.2468133009E+00
      3.1880                 0.3090365078E-01
      1.3280                -0.1172121848E+00
      0.5483                -0.1270555437E+00
      0.2305                -0.5375372847E-01
      0.0967                -0.7437935978E-02
O    P
 250600.0000                -0.2503086460E-02
  37410.0000                -0.7555343286E-02
   8487.0000                -0.1930188493E-01
   2380.0000                -0.4307370640E-01
    765.1000                -0.8966484930E-01
    271.6000                -0.1639947835E+00
    103.3000                -0.2632853491E+00
     41.5900                -0.2783036738E+00
     17.4400                -0.3264815099E-01
      7.5080                 0.6208708317E+00
      3.1880                 0.5004806091E+00
      1.3280                -0.4437682178E+00
      0.5483                -0.4114676979E+00
      0.2305                 0.1833312960E+00
      0.0967                 0.1474643776E+00
O    P
 250600.0000                -0.7782017667E-08
  37410.0000                 0.1063835922E-07
   8487.0000                -0.2734124055E-07
   2380.0000                 0.1818998046E-07
    765.1000                -0.1964175971E-07
    271.6000                -0.4050225388E-03
    103.3000                -0.1341616347E-02
     41.5900                -0.6292167503E-02
     17.4400                -0.2128851263E-01
      7.5080                -0.6663627150E-01
      3.1880                -0.1750898717E+00
      1.3280                -0.3164372624E+00
      0.5483                -0.3632478759E+00
      0.2305                -0.2490939228E+00
      0.0967                -0.6753665985E-01
O    D
    271.6000                -0.6662755460E-02
    103.3000                -0.1359519256E-01
     41.5900                -0.4048355470E-01
     17.4400                -0.8867118689E-01
      7.5080                -0.1821439796E+00
      3.1880                -0.3118183747E+00
      1.3280                -0.3637841052E+00
      0.5483                -0.2682784864E+00
      0.2305                -0.1193049974E+00
      0.0967                -0.2094349060E-01
end
basis "F_sigmaSZHF" SPHERICAL 
#basis SET: (45s,45p,10d) -> [3s,3p,1d]
F    S
 278600.0000                -0.1673062957E-04
  41660.0000                -0.1304987298E-03
   9432.0000                -0.6937973256E-03
   2633.0000                -0.2997040364E-02
    839.0000                -0.1117904770E-01
    294.2000                -0.3625095273E-01
    112.6000                -0.9687292841E-01
     46.8100                -0.2035911427E+00
     20.5000                -0.3154479832E+00
      9.1740                -0.2697081577E+00
      4.0240                -0.8151238023E-01
      1.7280                -0.7677834889E-01
      0.7308                -0.1287152806E+00
      0.3087                -0.7151476011E-01
      0.1270                -0.6650534204E-02
F    S
 278600.0000                -0.8599627654E-05
  41660.0000                -0.6692108882E-04
   9432.0000                -0.3561683497E-03
   2633.0000                -0.1541357346E-02
    839.0000                -0.5759448984E-02
    294.2000                -0.1888170972E-01
    112.6000                -0.5144502758E-01
     46.8100                -0.1139435841E+00
     20.5000                -0.1973677536E+00
      9.1740                -0.2280070414E+00
      4.0240                -0.5291799668E-01
      1.7280                 0.3000607588E+00
      0.7308                 0.5015127565E+00
      0.3087                 0.2858241419E+00
      0.1270                 0.2566930054E-01
F    S
 278600.0000                 0.4105654563E-04
  41660.0000                -0.6933851611E-03
   9432.0000                -0.5215143240E-03
   2633.0000                -0.1111889937E-01
    839.0000                -0.1602812724E-01
    294.2000                -0.4903596445E-01
    112.6000                -0.1587486890E+00
     46.8100                -0.2686235498E+00
     20.5000                -0.3516242870E+00
      9.1740                 0.1494863596E+00
      4.0240                 0.7819681738E+00
      1.7280                 0.3992338863E+00
      0.7308                -0.2947986608E+00
      0.3087                -0.4048089822E+00
      0.1270                -0.1683233103E+00
F    P
 278600.0000                 0.1797632096E-02
  41660.0000                 0.5334256300E-02
   9432.0000                 0.1355454502E-01
   2633.0000                 0.3094850499E-01
    839.0000                 0.6520798756E-01
    294.2000                 0.1261863984E+00
    112.6000                 0.2114166315E+00
     46.8100                 0.2973961122E+00
     20.5000                 0.3300421096E+00
      9.1740                 0.2353634681E+00
      4.0240                 0.2854331262E-01
      1.7280                -0.1219261467E+00
      0.7308                -0.1335455717E+00
      0.3087                -0.5669861882E-01
      0.1270                -0.6771302511E-02
F    P
 278600.0000                 0.2838365280E-02
  41660.0000                 0.8612796279E-02
   9432.0000                 0.2168600065E-01
   2633.0000                 0.4910799196E-01
    839.0000                 0.1026858394E+00
    294.2000                 0.1865732528E+00
    112.6000                 0.2788321997E+00
     46.8100                 0.2603482618E+00
     20.5000                -0.1963360717E-01
      9.1740                -0.6266600786E+00
      4.0240                -0.4533097271E+00
      1.7280                 0.4209870044E+00
      0.7308                 0.4142812671E+00
      0.3087                -0.1567798153E+00
      0.1270                -0.1588812721E+00
F    P
 278600.0000                 0.1876928598E-08
  41660.0000                -0.3922455011E-08
   9432.0000                 0.4126400276E-08
   2633.0000                -0.3764664563E-09
    839.0000                -0.3258707120E-08
    294.2000                -0.5620232372E-03
    112.6000                -0.1761589429E-02
     46.8100                -0.7697910470E-02
     20.5000                -0.2395002352E-01
      9.1740                -0.7170471107E-01
      4.0240                -0.1777009512E+00
      1.7280                -0.3081961610E+00
      0.7308                -0.3524655272E+00
      0.3087                -0.2529325516E+00
      0.1270                -0.7402373771E-01
F    D
    294.2000                -0.8345241019E-02
    112.6000                -0.1615129822E-01
     46.8100                -0.4558079904E-01
     20.5000                -0.9379283401E-01
      9.1740                -0.1879037093E+00
      4.0240                -0.3083746754E+00
      1.7280                -0.3504766124E+00
      0.7308                -0.2606855111E+00
      0.3087                -0.1215597360E+00
      0.1270                -0.2282155182E-01
end
basis "P_sigmaSZHF" SPHERICAL 
#basis SET: (95s,95p,30d) -> [5s,5p,2d]
P    S
1349000.0000                 0.8002023427E-05
 201500.0000                 0.6225413360E-04
  45540.0000                 0.3322147891E-03
  12710.0000                 0.1438572211E-02
   4039.0000                 0.5439903043E-02
   1413.0000                 0.1803678243E-01
    539.6000                 0.5120311253E-01
    223.6000                 0.1199156977E+00
     99.3400                 0.2192759750E+00
     46.4700                 0.2769093615E+00
     22.4900                 0.1835192393E+00
     11.0700                 0.6303422680E-01
      5.5230                 0.1038588736E+00
      2.8180                 0.1614873980E+00
      1.4660                 0.9585796044E-01
      0.7577                 0.1411322552E-01
      0.3296                -0.6273210388E-02
      0.1413                -0.5406031933E-02
      0.0590                -0.9674046113E-03
P    S
1349000.0000                -0.5346192068E-05
 201500.0000                -0.4205407828E-04
  45540.0000                -0.2241739225E-03
  12710.0000                -0.9718245754E-03
   4039.0000                -0.3683467987E-02
   1413.0000                -0.1228235763E-01
    539.6000                -0.3537870334E-01
    223.6000                -0.8558629874E-01
     99.3400                -0.1681369350E+00
     46.4700                -0.2495600738E+00
     22.4900                -0.2257960149E+00
     11.0700                -0.1772069369E-01
      5.5230                 0.2901829936E+00
      2.8180                 0.4686860144E+00
      1.4660                 0.2773701532E+00
      0.7577                 0.4273835208E-01
      0.3296                -0.7905968842E-02
      0.1413                -0.6802556453E-02
      0.0590                -0.1298442369E-02
P    S
1349000.0000                -0.6883765607E-04
 201500.0000                 0.1265615330E-03
  45540.0000                 0.1994357777E-02
  12710.0000                 0.3817912379E-02
   4039.0000                 0.9762340744E-02
   1413.0000                 0.4390734889E-01
    539.6000                 0.1087574995E+00
    223.6000                 0.2537949971E+00
     99.3400                 0.3836086680E+00
     46.4700                 0.2420756496E+00
     22.4900                -0.5104548781E+00
     11.0700                -0.9291187989E+00
      5.5230                -0.2204946218E+00
      2.8180                 0.7750898523E+00
      1.4660                 0.6202547829E+00
      0.7577                -0.3612769674E+00
      0.3296                -0.3391000525E+00
      0.1413                 0.5802852639E-01
      0.0590                 0.1576965289E+00
P    S
1349000.0000                -0.7045681396E-06
 201500.0000                -0.5403702072E-05
  45540.0000                -0.2937109139E-04
  12710.0000                -0.1266900754E-03
   4039.0000                -0.4830933624E-03
   1413.0000                -0.1619746271E-02
    539.6000                -0.4727272269E-02
    223.6000                -0.1180350200E-01
     99.3400                -0.2467383077E-01
     46.4700                -0.4140275428E-01
     22.4900                -0.4465571076E-01
     11.0700                 0.1031194115E-02
      5.5230                 0.1009545306E+00
      2.8180                 0.2193118683E+00
      1.4660                 0.2499095490E+00
      0.7577                -0.5492631492E-01
      0.3296                -0.5721560550E+00
      0.1413                -0.5112190962E+00
      0.0590                -0.7157463741E-01
P    S
1349000.0000                -0.1472053724E-03
 201500.0000                 0.6572721573E-04
  45540.0000                 0.4460777722E-03
  12710.0000                 0.1269884883E-02
   4039.0000                 0.2365478638E-03
   1413.0000                 0.9308845736E-02
    539.6000                 0.1496836532E-01
    223.6000                 0.4071829193E-01
     99.3400                 0.2983631118E-01
     46.4700                -0.4915349527E-01
     22.4900                -0.2627256008E+00
     11.0700                -0.1656775845E+00
      5.5230                 0.4406205283E+00
      2.8180                 0.8299920060E+00
      1.4660                -0.4459094483E-01
      0.7577                -0.1329045493E+01
      0.3296                -0.3467078715E+00
      0.1413                 0.6374814995E+00
      0.0590                 0.4800122312E+00
P    P
1349000.0000                 0.9943180378E-03
 201500.0000                 0.2973488368E-02
  45540.0000                 0.7593990903E-02
  12710.0000                 0.1737549312E-01
   4039.0000                 0.3724944408E-01
   1413.0000                 0.7362571351E-01
    539.6000                 0.1323494124E+00
    223.6000                 0.2100141251E+00
     99.3400                 0.2862912755E+00
     46.4700                 0.3140302411E+00
     22.4900                 0.2231318550E+00
     11.0700                 0.1352129199E-01
      5.5230                -0.1738038150E+00
      2.8180                -0.2033004950E+00
      1.4660                -0.8543627628E-01
      0.7577                 0.8749028266E-02
      0.3296                 0.4598869431E-01
      0.1413                 0.4611350379E-01
      0.0590                 0.1669052261E-01
P    P
1349000.0000                 0.1892168828E-02
 201500.0000                 0.5574379201E-02
  45540.0000                 0.1403396138E-01
  12710.0000                 0.3206546766E-01
   4039.0000                 0.6754600627E-01
   1413.0000                 0.1300652771E+00
    539.6000                 0.2162447481E+00
    223.6000                 0.2842267047E+00
     99.3400                 0.2227752186E+00
     46.4700                -0.1022169945E+00
     22.4900                -0.5100423257E+00
     11.0700                -0.3822082850E+00
      5.5230                 0.1177010024E+00
      2.8180                 0.3846771853E+00
      1.4660                 0.2822810558E+00
      0.7577                -0.2999087175E-01
      0.3296                -0.2275217114E+00
      0.1413                -0.2500994519E-01
      0.0590                 0.6522920143E-01
P    P
1349000.0000                 0.1153223148E-07
 201500.0000                -0.5611151829E-08
  45540.0000                 0.5502131101E-08
  12710.0000                 0.1463390793E-07
   4039.0000                 0.3607401395E-04
   1413.0000                 0.1587149534E-03
    539.6000                 0.8079684985E-03
    223.6000                 0.3231635627E-02
     99.3400                 0.1097406867E-01
     46.4700                 0.3194948606E-01
     22.4900                 0.7858948593E-01
     11.0700                 0.1540857586E+00
      5.5230                 0.2177039864E+00
      2.8180                 0.2127815106E+00
      1.4660                 0.1161647531E+00
      0.7577                 0.1149235694E+00
      0.3296                 0.2281285897E+00
      0.1413                 0.2353259046E+00
      0.0590                 0.8743170439E-01
P    P
1349000.0000                -0.8850897516E-08
 201500.0000                -0.1873455041E-07
  45540.0000                 0.1709767364E-07
  12710.0000                -0.1365435125E-07
   4039.0000                 0.3812206862E-04
   1413.0000                 0.1612899171E-03
    539.6000                 0.8501539850E-03
    223.6000                 0.3329001506E-02
     99.3400                 0.1152036435E-01
     46.4700                 0.3326259840E-01
     22.4900                 0.8353931566E-01
     11.0700                 0.1634010898E+00
      5.5230                 0.2381260861E+00
      2.8180                 0.2322188916E+00
      1.4660                 0.1253015516E+00
      0.7577                -0.1111634873E+00
      0.3296                -0.3500622010E+00
      0.1413                -0.3654465826E+00
      0.0590                -0.1357963136E+00
P    P
1349000.0000                 0.1427957103E-02
 201500.0000                 0.3265188132E-02
  45540.0000                 0.9372864271E-02
  12710.0000                 0.2058221387E-01
   4039.0000                 0.4426067610E-01
   1413.0000                 0.8322269861E-01
    539.6000                 0.1299222912E+00
    223.6000                 0.1453334477E+00
     99.3400                 0.3354942141E-01
     46.4700                -0.2653038420E+00
     22.4900                -0.4153360661E+00
     11.0700                 0.1689404260E+00
      5.5230                 0.8675798981E+00
      2.8180                 0.1200810309E+00
      1.4660                -0.1251727268E+01
      0.7577                -0.1177282702E+00
      0.3296                 0.1120948923E+01
      0.1413                -0.1641813976E+00
      0.0590                -0.5431625877E+00
P    D
   4039.0000                 0.1250390613E-02
   1413.0000                 0.3310891856E-02
    539.6000                 0.1028048746E-01
    223.6000                 0.2664613453E-01
     99.3400                 0.6002621745E-01
     46.4700                 0.1197616190E+00
     22.4900                 0.2037157851E+00
     11.0700                 0.2804956236E+00
      5.5230                 0.2773209212E+00
      2.8180                 0.1938180597E+00
      1.4660                 0.7656713920E-01
      0.7577                 0.8443268953E-01
      0.3296                 0.1214701666E+00
      0.1413                 0.8227482137E-01
      0.0590                 0.1974706128E-01
P    D
   4039.0000                 0.4594890465E-03
   1413.0000                 0.8738376466E-03
    539.6000                 0.3687019782E-02
    223.6000                 0.7984184181E-02
     99.3400                 0.2119205293E-01
     46.4700                 0.3949540851E-01
     22.4900                 0.7950767723E-01
     11.0700                 0.1075496870E+00
      5.5230                 0.1324692607E+00
      2.8180                 0.9124969330E-01
      1.4660                 0.3324339234E-01
      0.7577                -0.2785952398E+00
      0.3296                -0.4745031477E+00
      0.1413                -0.3228887247E+00
      0.0590                -0.7749679232E-01
end
basis "S_sigmaSZHF" SPHERICAL 
#basis SET: (95s,95p,30d) -> [5s,5p,2d]
S    S
1381000.0000                 0.1073523542E-04
 205600.0000                 0.8274543513E-04
  46660.0000                 0.4408872711E-03
  13020.0000                 0.1908279352E-02
   4149.0000                 0.7155885235E-02
   1462.0000                 0.2343528991E-01
    560.8000                 0.6624289184E-01
    232.4000                 0.1545131626E+00
    102.9000                 0.2810611904E+00
     47.5900                 0.3516459239E+00
     22.5000                 0.2202830937E+00
     10.6100                 0.4149062459E-01
      5.0280                 0.3535463988E-02
      2.4260                 0.2595659249E-02
      1.1560                 0.5247188443E-03
      0.5435                 0.4883814914E-04
      0.2457                 0.2567399291E-03
      0.1122                 0.1213920586E-03
      0.0497                -0.5126472812E-04
S    S
1381000.0000                -0.3020233709E-05
 205600.0000                -0.2340078044E-04
  46660.0000                -0.1236939514E-03
  13020.0000                -0.5396758845E-03
   4149.0000                -0.2023604915E-02
   1462.0000                -0.6716475336E-02
    560.8000                -0.1950817503E-01
    232.4000                -0.4847896003E-01
    102.9000                -0.1003486554E+00
     47.5900                -0.1631926417E+00
     22.5000                -0.1499698300E+00
     10.6100                 0.8188552921E-01
      5.0280                 0.4582999924E+00
      2.4260                 0.4935365214E+00
      1.1560                 0.1268388401E+00
      0.5435                -0.4617961685E-03
      0.2457                -0.2651163632E-02
      0.1122                -0.1072877829E-02
      0.0497                -0.2395817503E-03
S    S
1381000.0000                -0.5881709843E-04
 205600.0000                 0.1522356367E-03
  46660.0000                 0.1023616598E-02
  13020.0000                 0.2864384052E-02
   4149.0000                 0.6251896881E-02
   1462.0000                 0.2796908988E-01
    560.8000                 0.7213400960E-01
    232.4000                 0.1609779371E+00
    102.9000                 0.2630861527E+00
     47.5900                 0.1738080602E+00
     22.5000                -0.2633138058E+00
     10.6100                -0.6262029078E+00
      5.0280                -0.4228648027E+00
      2.4260                 0.2829117229E+00
      1.1560                 0.8446778156E+00
      0.5435                 0.2008582184E+00
      0.2457                -0.3276615734E+00
      0.1122                -0.3200577968E+00
      0.0497                -0.7974702100E-01
S    S
1381000.0000                -0.7073178971E-06
 205600.0000                -0.6871238215E-05
  46660.0000                -0.3315895335E-04
  13020.0000                -0.1536216720E-03
   4149.0000                -0.5524918555E-03
   1462.0000                -0.1895349026E-02
    560.8000                -0.5401931832E-02
    232.4000                -0.1374564163E-01
    102.9000                -0.2843092330E-01
     47.5900                -0.4837681233E-01
     22.5000                -0.4561022707E-01
     10.6100                 0.2700094997E-01
      5.0280                 0.1812798925E+00
      2.4260                 0.3214418862E+00
      1.1560                 0.1141461311E+00
      0.5435                -0.4298785417E+00
      0.2457                -0.5899091461E+00
      0.1122                -0.2145512955E+00
      0.0497                -0.9069271453E-02
S    S
1381000.0000                 0.2349512722E-03
 205600.0000                -0.3360803141E-03
  46660.0000                 0.3021369663E-02
  13020.0000                 0.7205521061E-03
   4149.0000                 0.1333867406E-01
   1462.0000                 0.4011789130E-01
    560.8000                 0.1052719684E+00
    232.4000                 0.2336528762E+00
    102.9000                 0.3105863704E+00
     47.5900                 0.5678737696E-01
     22.5000                -0.7632243366E+00
     10.6100                -0.6895705233E+00
      5.0280                 0.7911748703E+00
      2.4260                 0.1178832839E+01
      1.1560                -0.9785522406E+00
      0.5435                -0.7830293246E+00
      0.2457                 0.2213355868E+00
      0.1122                 0.5185897109E+00
      0.0497                 0.1679981294E+00
S    P
1381000.0000                -0.1143035985E-02
 205600.0000                -0.3583368265E-02
  46660.0000                -0.8823771610E-02
  13020.0000                -0.2062344277E-01
   4149.0000                -0.4310370558E-01
   1462.0000                -0.8515675735E-01
    560.8000                -0.1500748206E+00
    232.4000                -0.2339648606E+00
    102.9000                -0.3021572468E+00
     47.5900                -0.3023529796E+00
     22.5000                -0.1688535587E+00
     10.6100                 0.3563739826E-01
      5.0280                 0.1922196425E+00
      2.4260                 0.2089084025E+00
      1.1560                 0.5522591102E-01
      0.5435                -0.8249559327E-01
      0.2457                -0.6886165015E-01
      0.1122                -0.6252005348E-02
      0.0497                 0.2758759676E-02
S    P
1381000.0000                -0.1573133983E-07
 205600.0000                -0.2895908846E-07
  46660.0000                 0.3490306329E-08
  13020.0000                -0.6345795853E-08
   4149.0000                 0.6318686274E-04
   1462.0000                 0.2655718185E-03
    560.8000                 0.1382646252E-02
    232.4000                 0.5425445021E-02
    102.9000                 0.1879721426E-01
     47.5900                 0.5518919748E-01
     22.5000                 0.1404451177E+00
     10.6100                 0.2734282422E+00
      5.0280                 0.3616158559E+00
      2.4260                 0.2724427274E+00
      1.1560                 0.7802074743E-01
      0.5435                 0.4096880105E-02
      0.2457                 0.1874385941E-02
      0.1122                 0.7373538226E-04
      0.0497                 0.2067402851E-03
S    P
1381000.0000                -0.2174901508E-02
 205600.0000                -0.5312252295E-02
  46660.0000                -0.1484264670E-01
  13020.0000                -0.3181081666E-01
   4149.0000                -0.6976924237E-01
   1462.0000                -0.1283756575E+00
    560.8000                -0.2166513336E+00
    232.4000                -0.2720937220E+00
    102.9000                -0.1991434476E+00
     47.5900                 0.1608776414E+00
     22.5000                 0.5357854793E+00
     10.6100                 0.3235984218E+00
      5.0280                -0.2353654048E+00
      2.4260                -0.5074659043E+00
      1.1560                -0.1691464499E+00
      0.5435                 0.2756643645E+00
      0.2457                 0.1613216928E+00
      0.1122                -0.9323008372E-01
      0.0497                -0.3785509790E-01
S    P
1381000.0000                 0.2106590892E-07
 205600.0000                -0.1112095304E-07
  46660.0000                -0.6880219711E-08
  13020.0000                -0.1517317731E-07
   4149.0000                 0.1174943411E-04
   1462.0000                 0.8278435276E-04
    560.8000                 0.3166321807E-03
    232.4000                 0.1467984828E-02
    102.9000                 0.4701964013E-02
     47.5900                 0.1467142043E-01
     22.5000                 0.3722403511E-01
     10.6100                 0.7543461127E-01
      5.0280                 0.1039176226E+00
      2.4260                 0.7917263645E-01
      1.1560                -0.8756001989E-01
      0.5435                -0.3405376536E+00
      0.2457                -0.4254066843E+00
      0.1122                -0.2678330101E+00
      0.0497                -0.5173000182E-01
S    P
1381000.0000                -0.1719290340E-03
 205600.0000                -0.5567157108E-02
  46660.0000                -0.8864754382E-02
  13020.0000                -0.2746009007E-01
   4149.0000                -0.4625577210E-01
   1462.0000                -0.1026043876E+00
    560.8000                -0.1383818031E+00
    232.4000                -0.1665704239E+00
    102.9000                 0.1315163247E-01
     47.5900                 0.3395217024E+00
     22.5000                 0.4624664256E+00
     10.6100                -0.4774288289E+00
      5.0280                -0.9323621652E+00
      2.4260                 0.8437423992E+00
      1.1560                 0.8908574148E+00
      0.5435                -0.9999459618E+00
      0.2457                -0.4363982199E+00
      0.1122                 0.6034206314E+00
      0.0497                 0.2099805637E+00
S    D
   4149.0000                -0.1527396435E-02
   1462.0000                -0.2721952296E-02
    560.8000                -0.1105063409E-01
    232.4000                -0.2506547546E-01
    102.9000                -0.6098750318E-01
     47.5900                -0.1167819753E+00
     22.5000                -0.2046266513E+00
     10.6100                -0.2652873557E+00
      5.0280                -0.2333668369E+00
      2.4260                -0.1209752542E+00
      1.1560                -0.1268270478E+00
      0.5435                -0.2196653106E+00
      0.2457                -0.1836060138E+00
      0.1122                -0.7794312086E-01
      0.0497                -0.1004107074E-01
S    D
   4149.0000                 0.4008695417E-03
   1462.0000                 0.3014511402E-02
    560.8000                 0.5462978529E-02
    232.4000                 0.1914594813E-01
    102.9000                 0.3816698921E-01
     47.5900                 0.8537084193E-01
     22.5000                 0.1486536833E+00
     10.6100                 0.2137095844E+00
      5.0280                 0.2089475311E+00
      2.4260                 0.1115710318E+00
      1.1560                -0.1619158693E+00
      0.5435                -0.3901465335E+00
      0.2457                -0.3274006687E+00
      0.1122                -0.1392210841E+00
      0.0497                -0.1791419271E-01
end
basis "Cl_sigmaSZHF" SPHERICAL 
#basis SET: (95s,95p,30d) -> [5s,5p,2d]
Cl    S
1554000.0000                 0.6817106587E-05
 233500.0000                 0.5207851145E-04
  53200.0000                 0.2772858947E-03
  14960.0000                 0.1181185703E-02
   4794.0000                 0.4415544692E-02
   1700.0000                 0.1419736498E-01
    660.5000                 0.3919722032E-01
    277.4000                 0.8969480771E-01
    122.6000                 0.1642329284E+00
     55.7000                 0.1908762045E+00
     25.9400                 0.9189935435E-01
     12.4800                 0.7218048171E-01
      6.2590                 0.2387778340E+00
      3.2350                 0.2925008267E+00
      1.6590                 0.1209197908E+00
      0.7347                 0.4486453374E-02
      0.3233                -0.5446950049E-02
      0.1424                -0.1963641165E-02
      0.0630                -0.1353297989E-03
Cl    S
1554000.0000                 0.8704369059E-05
 233500.0000                 0.6808488211E-04
  53200.0000                 0.3556327371E-03
  14960.0000                 0.1536590675E-02
   4794.0000                 0.5703574249E-02
   1700.0000                 0.1859124663E-01
    660.5000                 0.5181664715E-01
    277.4000                 0.1234086424E+00
    122.6000                 0.2436586163E+00
     55.7000                 0.3507763516E+00
     25.9400                 0.2604688938E+00
     12.4800                -0.2788890018E-01
      6.2590                -0.3178644071E+00
      3.2350                -0.4004248816E+00
      1.6590                -0.1649030942E+00
      0.7347                -0.1192053879E-02
      0.3233                 0.1682233599E-01
      0.1424                 0.6097145143E-02
      0.0630                 0.3111548137E-03
Cl    S
1554000.0000                 0.5319253727E-04
 233500.0000                 0.9157190299E-04
  53200.0000                 0.2281198046E-02
  14960.0000                 0.3429809496E-02
   4794.0000                 0.1273538083E-01
   1700.0000                 0.4516701067E-01
    660.5000                 0.1159459463E+00
    277.4000                 0.2521653057E+00
    122.6000                 0.3798741590E+00
     55.7000                 0.9575913779E-01
     25.9400                -0.8000563159E+00
     12.4800                -0.8349897677E+00
      6.2590                 0.5348984580E+00
      3.2350                 0.1332185685E+01
      1.6590                -0.4921438989E+00
      0.7347                -0.9587844371E+00
      0.3233                 0.1445948226E+00
      0.1424                 0.4324336928E+00
      0.0630                 0.1542709481E+00
Cl    S
1554000.0000                -0.4805723397E-04
 233500.0000                -0.5737772996E-04
  53200.0000                -0.6451957167E-03
  14960.0000                -0.1193128781E-02
   4794.0000                -0.4609338258E-02
   1700.0000                -0.1719318215E-01
    660.5000                -0.4273205237E-01
    277.4000                -0.1041574581E+00
    122.6000                -0.1792988436E+00
     55.7000                -0.1836235221E+00
     25.9400                 0.8885609939E-01
     12.4800                 0.4292853535E+00
      6.2590                 0.5777543586E+00
      3.2350                 0.1929746235E+00
      1.6590                -0.9991307900E+00
      0.7347                -0.6150405674E+00
      0.3233                 0.4042853743E+00
      0.1424                 0.4334448044E+00
      0.0630                 0.1203865942E+00
Cl    S
1554000.0000                -0.6692555556E-06
 233500.0000                -0.5771340750E-05
  53200.0000                -0.2945517469E-04
  14960.0000                -0.1291984143E-03
   4794.0000                -0.4764085832E-03
   1700.0000                -0.1582788010E-02
    660.5000                -0.4484094883E-02
    277.4000                -0.1139143045E-01
    122.6000                -0.2504486486E-01
     55.7000                -0.4534848175E-01
     25.9400                -0.4485213224E-01
     12.4800                 0.2210290750E-01
      6.2590                 0.1511188835E+00
      3.2350                 0.2947587526E+00
      1.6590                 0.1838840778E+00
      0.7347                -0.3728145963E+00
      0.3233                -0.6352403924E+00
      0.1424                -0.2420080051E+00
      0.0630                -0.9356531460E-02
Cl    P
1554000.0000                -0.1223630622E-02
 233500.0000                -0.3778387190E-02
  53200.0000                -0.9556395083E-02
  14960.0000                -0.2167556200E-01
   4794.0000                -0.4565745200E-01
   1700.0000                -0.8844739122E-01
    660.5000                -0.1534111362E+00
    277.4000                -0.2362280860E+00
    122.6000                -0.3081775763E+00
     55.7000                -0.2957537761E+00
     25.9400                -0.1465584406E+00
     12.4800                 0.2099647367E-01
      6.2590                 0.1326961282E+00
      3.2350                 0.2191310097E+00
      1.6590                 0.1282020937E+00
      0.7347                -0.9994649835E-01
      0.3233                -0.1003053460E+00
      0.1424                 0.8024470876E-02
      0.0630                 0.9153782845E-02
Cl    P
1554000.0000                 0.6216071688E-08
 233500.0000                -0.2000275449E-07
  53200.0000                 0.2998966562E-07
  14960.0000                -0.1214694504E-07
   4794.0000                -0.6374463848E-04
   1700.0000                -0.2508820349E-03
    660.5000                -0.1320432490E-02
    277.4000                -0.5034584473E-02
    122.6000                -0.1818322242E-01
     55.7000                -0.5596616347E-01
     25.9400                -0.1425379672E+00
     12.4800                -0.2591360379E+00
      6.2590                -0.3314954487E+00
      3.2350                -0.2726699760E+00
      1.6590                -0.1097066563E+00
      0.7347                -0.1199324085E-01
      0.3233                -0.5875891042E-03
      0.1424                -0.7277446384E-03
      0.0630                -0.6259668403E-04
Cl    P
1554000.0000                -0.1819993714E-02
 233500.0000                -0.4616079740E-02
  53200.0000                -0.1182740454E-01
  14960.0000                -0.2658854376E-01
   4794.0000                -0.5643999536E-01
   1700.0000                -0.1055481405E+00
    660.5000                -0.1767823744E+00
    277.4000                -0.2330206591E+00
    122.6000                -0.2030786658E+00
     55.7000                 0.7945945187E-01
     25.9400                 0.4508766853E+00
     12.4800                 0.4043400993E+00
      6.2590                -0.2279595298E-03
      3.2350                -0.5690564055E+00
      1.6590                -0.4746834662E+00
      0.7347                 0.3793230684E+00
      0.3233                 0.3029376263E+00
      0.1424                -0.1756748908E+00
      0.0630                -0.7246176597E-01
Cl    P
1554000.0000                 0.5253050723E-08
 233500.0000                 0.1011635432E-07
  53200.0000                -0.1792556366E-07
  14960.0000                 0.4866751161E-07
   4794.0000                -0.1786505275E-04
   1700.0000                -0.6654064865E-04
    660.5000                -0.3584722367E-03
    277.4000                -0.1364670349E-02
    122.6000                -0.4945270814E-02
     55.7000                -0.1553438547E-01
     25.9400                -0.4022764178E-01
     12.4800                -0.7618470868E-01
      6.2590                -0.9912270040E-01
      3.2350                -0.9174096223E-01
      1.6590                 0.5802916515E-01
      0.7347                 0.3405092568E+00
      0.3233                 0.4475971156E+00
      0.1424                 0.2745095478E+00
      0.0630                 0.5035347949E-01
Cl    P
1554000.0000                 0.1497783582E-02
 233500.0000                 0.4718094867E-02
  53200.0000                 0.1435629567E-01
  14960.0000                 0.2847545780E-01
   4794.0000                 0.6413230238E-01
   1700.0000                 0.1112964454E+00
    660.5000                 0.1784864255E+00
    277.4000                 0.1905739491E+00
    122.6000                 0.4851571091E-01
     55.7000                -0.4171912217E+00
     25.9400                -0.5429392245E+00
     12.4800                 0.3677124209E+00
      6.2590                 0.9918655074E+00
      3.2350                -0.4174894330E+00
      1.6590                -0.1108049019E+01
      0.7347                 0.7578217963E+00
      0.3233                 0.5514009677E+00
      0.1424                -0.5692017807E+00
      0.0630                -0.2051188123E+00
Cl    D
   4794.0000                 0.1216410584E-02
   1700.0000                 0.2969012960E-02
    660.5000                 0.9586997769E-02
    277.4000                 0.2371590773E-01
    122.6000                 0.5685251047E-01
     55.7000                 0.1159453385E+00
     25.9400                 0.1988961714E+00
     12.4800                 0.2420016028E+00
      6.2590                 0.2158935549E+00
      3.2350                 0.1128058816E+00
      1.6590                 0.1315502531E+00
      0.7347                 0.2416759895E+00
      0.3233                 0.2063286877E+00
      0.1424                 0.8409609206E-01
      0.0630                 0.1023745078E-01
Cl    D
   4794.0000                 0.9406480230E-03
   1700.0000                 0.2053833131E-02
    660.5000                 0.6955950760E-02
    277.4000                 0.1719175075E-01
    122.6000                 0.4148851062E-01
     55.7000                 0.8929139877E-01
     25.9400                 0.1596693743E+00
     12.4800                 0.2159045962E+00
      6.2590                 0.2011976822E+00
      3.2350                 0.1437004771E+00
      1.6590                -0.1233004273E+00
      0.7347                -0.3948731149E+00
      0.3233                -0.3428207261E+00
      0.1424                -0.1396574982E+00
      0.0630                -0.1698200693E-01
end
