! 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   -2.1616395297   2.2350449691   0.3618200722
O   -2.9713306945  -1.4714144778  -0.7112648196
O   -3.4187351911   2.2719358279   1.0639718859
O   -1.5481317738   3.4555662850  -0.1068336547
O   -2.1997288731  -0.1744567420   2.1586778626
O    3.0839022159   2.1688565960  -0.2966988361
O    3.8875750717  -2.3502083252   0.3826237803
N   -2.3663704131   1.1971245854  -0.9173819472
N   -0.9680772621   1.5464427535   1.3115666769
N    0.0226771744  -0.4760868489   1.9198492603
N    1.5590571958   0.8902165609   0.8335346283
N    1.9612378533  -1.4099881720   1.1765778157
C   -1.1838091103  -2.8810048068  -0.1181729022
C   -1.9664112626  -4.1753127700  -0.1977885468
C   -1.8938294198  -3.4579159980   1.0889582953
C   -1.7658652900  -1.6747184017  -0.7349982557
C   -0.8550233719  -0.6948468997  -1.3870635987
C   -1.1994185234   0.6648024668  -1.5204648118
C    0.3466697664  -1.1328953392  -1.9444240273
C   -0.3575888572   1.5261132725  -2.2115033732
C    1.1934581912  -0.2646106399  -2.6114650067
C    0.8362274606   1.0670388687  -2.7458979536
C   -1.1267755038   0.2708014259   1.8169955985
C    1.2353418358  -0.3131597539   1.2716127076
C    2.7170218383   0.9957623627   0.1869164990
C    3.1177507859  -1.2864467470   0.5384181654
C    3.5646749851  -0.0837088064   0.0074987898
C    2.2532259561   3.3056184500  -0.0740141199
C    3.4287997571  -3.6117000494   0.8629708864
H   -0.1068109700  -2.9691420141  -0.1146229540
H   -2.8977378953  -4.1496142844  -0.7483681916
H   -1.3818542120  -5.0754423696  -0.3296641393
H   -1.2543360131  -3.8510561643   1.8681971454
H   -2.7713976592  -2.9318834565   1.4386353437
H    0.6194039240  -2.1772673262  -1.8836817062
H   -0.6404439672   2.5599908714  -2.3461329675
H   -3.0839360198   0.4976377035  -0.7308182273
H    2.1177148199  -0.6314657247  -3.0346455755
H    1.4782166805   1.7537513600  -3.2803604815
H   -0.1323830740  -1.4081604619   2.2822613500
H    4.5047766284   0.0031244458  -0.5168630580
H    2.1155792028   3.5029061893   0.9888294762
H    1.2812610922   3.1979948061  -0.5550512175
H    2.7746638434   4.1441304586  -0.5264245715
H    2.4877525100  -3.9018510067   0.3957595413
H    3.3080230087  -3.6125300306   1.9456199871
H    4.1990275665  -4.3266622651   0.5881807449
H   -0.0026971242   1.7892437887   1.0379930261
*