! 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    1.5763739550   1.6343753004   1.4529397928
O    1.3492704700   2.9726006417   0.9550189713
O    1.8134437059   1.4154496328   2.8613397502
O    4.1041104276  -1.5655819749   0.7065657917
O    0.8780352938  -1.2285799530   1.6713210926
O   -5.6644309747  -1.1865454032  -0.1554687689
O   -3.3823148669   2.8403015400  -0.4876676599
N    2.8473092158   0.9485295320   0.6786072397
N    2.6508460504  -2.9370226082  -0.3359094898
N    0.2178857405   0.8191947091   0.9479709073
N   -1.2299911905  -0.9943945670   0.8957605306
N   -3.4392863496  -1.1000035107   0.3646470232
N   -2.2856049532   0.9507627770   0.1869104184
C    2.8062338668   0.6580359153  -0.7045452249
C    2.9734944649  -0.6601866745  -1.1506845290
C    3.2651126374  -1.7589462922  -0.1787976299
C    2.6270738175   1.6840715492  -1.6245653386
C    3.0016924158  -0.9083253779  -2.5204020354
C    2.6244497230   1.4098152270  -2.9825836164
C    2.8236000764   0.1150728093  -3.4360008149
C    2.9881668374  -4.0153393981   0.5740809286
C    1.4052406713  -3.1230195845  -1.0570346885
C    0.0167292883  -0.5095139275   1.2072948573
C   -2.3645471076  -0.3399574476   0.4606067655
C   -4.5461716890  -0.4911276781  -0.0382980762
C   -3.4049339727   1.5477217760  -0.2110115068
C   -4.5994647987   0.8632966154  -0.3460112536
C   -5.6548232941  -2.5769745381   0.1614123629
C   -2.1572838738   3.5569564438  -0.3484208448
H    3.3092748538   0.2374830717   1.2413579104
H    2.5187008730   2.7047461889  -1.2882845774
H    3.1714435266  -1.9151005039  -2.8785897386
H    2.4900199333   2.2196393805  -3.6865544512
H    2.8495018430  -0.0977660971  -4.4956141053
H   -0.5761400294   1.3562127891   0.5712597140
H    2.4760291797  -3.9038620715   1.5322044945
H    4.0589667934  -4.0633085192   0.7512711690
H    2.6796840303  -4.9580637429   0.1271522908
H    0.6544449282  -3.5325097141  -0.3800570366
H    1.0192574780  -2.1889673204  -1.4513501903
H    1.5290111428  -3.8214335259  -1.8849041134
H   -5.5096257668   1.3481002867  -0.6668505246
H   -6.6732632874  -2.9194975851   0.0017394309
H   -5.3770244422  -2.7515759482   1.2001222105
H   -4.9834798940  -3.1340103405  -0.4910597579
H   -1.7968193117   3.5431136675   0.6803619066
H   -2.3843114791   4.5823022249  -0.6258384162
H   -1.3880002759   3.1738857424  -1.0191927517
H   -1.3503257355  -1.9804555623   1.0866247535
*