! 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   -1.5966936372   0.2963988548   1.5404824732
O   -2.1945071170   1.2523676407   2.4473531971
O   -1.4487096514  -1.0894619407   1.9479719159
O   -1.8926873335  -2.9656134958  -0.5690140420
O   -0.5801613142   2.9174775705   0.6046248565
O   -0.1247600622  -1.6176982901  -0.8196975149
N   -0.0537038344   0.7735750575   1.1643658172
N    1.5128019501   2.1776027616   0.1947695564
N    3.6140232347   1.7283072507  -0.5664471910
N    2.3665499181   0.0377798634   0.5144935640
C   -2.4811637015   0.3326131233   0.0069626801
C   -2.3164564197  -0.7008791160  -0.9155527112
C   -3.3766912823   1.3649848781  -0.2218156638
C   -3.0652454633  -0.6771022061  -2.0827087913
C   -4.1088258896   1.3798369442  -1.3997063593
C   -3.9506702163   0.3637980819  -2.3271121546
C    0.2303024025   2.0134232197   0.6526817338
C   -1.3129030535  -1.7967662766  -0.7425778074
C    2.5376764900   1.2596654963   0.0499198925
C    4.6109936280   0.8706996989  -0.7495925710
C    3.3557613026  -0.8403490345   0.3231076972
C    4.5147241963  -0.4508574409  -0.3177383333
C    5.8396769213   1.3569383778  -1.4379502659
C    3.1404719501  -2.2206047195   0.8369110558
C   -1.0324655525  -4.1021759590  -0.4200743584
H   -3.5175293473   2.1490632329   0.5072369413
H   -2.9518902743  -1.4667372852  -2.8131729173
H   -4.8060316996   2.1846398022  -1.5846675664
H   -4.5212530164   0.3729983829  -3.2453436552
H    1.7097817197   3.1006463095  -0.1685226314
H    5.3240659579  -1.1480499666  -0.4812910945
H    6.7006709606   1.2881264551  -0.7716406814
H    6.0612615434   0.7376515761  -2.3077424265
H    5.7330450801   2.3891739148  -1.7615417686
H    3.9340786413  -2.8949253956   0.5240895632
H    3.1061663324  -2.2148193471   1.9274865719
H    2.1848850539  -2.6112120414   0.4861787062
H   -0.3939190079  -4.2357528289  -1.2930134770
H   -1.6903007468  -4.9594786647  -0.3177638464
H   -0.4159839693  -4.0092603860   0.4746449090
H    0.6830983101   0.0500658199   1.0676852890
*