! 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   -2.9372807480  -1.2898732989  -0.2465137417
O   -2.6153057549   2.4555494816  -0.4222815193
N   -2.4096482385   0.2604693145   0.1874789350
C    1.9810429242  -0.5985587717  -0.3996325319
C    0.5519338572  -0.7197054372   0.1228474763
C    3.0355865856  -0.3572970609   0.6740788714
C    0.0094133474   0.5647749657   0.7362331292
C    4.4513170587  -0.3438029548   0.1106761849
C   -1.4225917613   0.4601056131   1.2394186926
C    5.5228820288  -0.1031269245   1.1660277515
C    6.9298741622  -0.0969310211   0.5880485499
C   -2.9090757171   1.2719465982  -0.5872668598
C   -3.8069292576   0.7047775218  -1.5780574979
C   -3.9008550179  -0.6329681841  -1.4975627815
H    2.0268102508   0.2056222305  -1.1417608715
H    2.2317714097  -1.5184780491  -0.9366424493
H    0.5024299316  -1.5248959709   0.8642626108
H   -0.0873558524  -1.0306482497  -0.7079496601
H    2.9570924456  -1.1372035835   1.4396787356
H    2.8467854770   0.5917563053   1.1854940099
H    0.0821148816   1.3848869476   0.0164324812
H    0.6164565129   0.8573228910   1.5968340569
H    4.5265811836   0.4286850056  -0.6625399570
H    4.6488911471  -1.2962545840  -0.3934914202
H   -1.7024287675   1.3686234919   1.7723843798
H   -1.5196093951  -0.3580051767   1.9550601436
H    5.3304370729   0.8500762665   1.6677673354
H    5.4492256837  -0.8736139110   1.9395030483
H    7.1673289845  -1.0500389629   0.1117169068
H    7.0452590532   0.6836839869  -0.1663539977
H    7.6803624855   0.0796421777   1.3596794899
H   -4.3328878632   1.3126749827  -2.2978956265
H   -4.4938547572  -1.2918323988  -2.1142932391
*