! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
S    1.0593773852   1.6797111805  -1.5643552125
F    0.3671068720  -3.1081761800   1.1306591297
F    2.1145662770  -4.3490019480   1.3244995991
F    1.4916925005  -3.6589334611  -0.6158519237
O    0.9877688401   3.0248994966  -2.0980319226
O    1.0605011019   0.5658052965  -2.4956056333
O   -0.0273922749   3.2092699073   0.7256256016
O   -3.1631344109  -1.9139969452  -1.1538607842
N   -0.2790940460   1.3906130816  -0.6100845462
N   -1.8974386025   1.9660132840   0.9582892115
N   -3.9601890054   1.0692061414   1.3186693074
N   -2.4672834635   0.0082782146  -0.1549606597
N   -4.6025751911  -0.9029032001   0.2070007301
C    2.7568471793   0.3814171524   0.2170382042
C    1.9290454230  -0.8727745368   0.0841218216
C    2.4316519304   1.5756870753  -0.4489727009
C    2.4777824513  -2.0728872332   0.8443609375
C    3.8810773380   0.4209338524   1.0350389413
C    3.1797789312   2.7359094062  -0.2999057325
C    1.6166794339  -3.2920205541   0.6697804094
C    4.6415147521   1.5723581110   1.1856494235
C    4.2946374803   2.7345256742   0.5209313993
C   -0.6801274158   2.2518549579   0.3732119831
C   -2.8012831096   0.9748254555   0.6902805434
C   -4.8345937021   0.1070784535   1.0349522961
C   -3.4027286891  -0.9054513361  -0.3499108846
C   -6.1536789174   0.1594317892   1.7138249132
C   -1.8819661015  -2.0224389403  -1.7733371550
H    0.9202695800  -0.6549441443   0.4438473158
H    1.8417231413  -1.1284102058  -0.9713504847
H    3.4819080646  -2.3234352164   0.4983259727
H    2.5406807119  -1.8681676696   1.9144608892
H    4.1855985982  -0.4626992178   1.5771073077
H    2.9022867093   3.6414175214  -0.8187991228
H    5.5090840496   1.5528073762   1.8311179722
H    4.8795784997   3.6358109929   0.6375511531
H   -0.8880143136   0.5921569060  -0.8328764200
H   -2.1948796689   2.6416083532   1.6513013459
H   -6.4781762059   1.1866405114   1.8640475940
H   -6.9089930242  -0.3859046788   1.1542013915
H   -6.0687552972  -0.3035943055   2.6996359310
H   -1.6715342519  -1.1694977549  -2.4182349811
H   -1.9235924086  -2.9217372008  -2.3799666155
H   -1.0922154899  -2.1342918931  -1.0309170166
*