! 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   -0.2730882876   1.5195735674   1.1563532542
S    5.7069963126   0.5201129709   0.5514506662
O   -1.4447771355   2.3759492476   1.1199760118
O    0.6329465495   1.5967466001   2.2820792492
O   -1.9405790418   3.2540182790  -2.0463270424
O    6.6276840164   1.0452465234   1.5496977628
O    6.2273873369  -0.2807185609  -0.5499627640
O   -2.1440800811   1.0826205394  -1.5452131836
O    1.1192503363  -1.0773861516   1.0272017770
O   -3.9925011015  -5.4346209619   0.0453546048
O   -5.1611966823  -0.9897702918   0.6819516419
N    4.9048842198   1.8047069436  -0.0627481143
N   -0.8897416947  -0.0184378468   1.0495047440
N   -0.7447261395  -2.3177810713   0.7585053170
N   -2.3598600819  -3.8750345185   0.4050971949
N   -2.9595868327  -1.6128151734   0.7170854455
C    0.6553292529   1.7644337461  -0.3343543130
C    2.8078056456   1.9515400047  -1.3839688573
C    4.3123389409   1.8483113204  -1.3764558807
C    2.0381481624   1.7103673060  -0.2558216043
C    0.0064568800   2.0927018484  -1.5218410563
C    2.1653522904   2.2877744897  -2.5696354263
C    0.7852832329   2.3690076761  -2.6376858711
C   -1.4777874729   2.0771856495  -1.6809893200
C    4.4897449281  -0.4626796702   1.3831400028
C   -0.0913233652  -1.1263908667   0.9555322450
C   -2.0874787245  -2.6013382618   0.6217523146
C   -3.3478138802   3.3564200058  -2.2955803180
C   -3.6430427744  -4.1793470885   0.2714838764
C   -4.2428903048  -1.9360103567   0.5868970674
C   -4.6594003813  -3.2355493812   0.3564199831
C   -2.9761955017  -6.4291887191  -0.0614250055
C   -4.7503926734   0.3553736050   0.9194989185
H    4.7334616860   2.6895473074  -1.9288985591
H    4.6033542528   0.9573819438  -1.9345118104
H    2.5163285743   1.4918850222   0.6872521706
H    2.7485483369   2.4958676500  -3.4579172506
H    0.3142377250   2.6350632494  -3.5742195409
H    5.0268025795   2.6739415606   0.4390154188
H   -1.8997033131  -0.1397039106   0.8894911437
H    3.7437289081  -0.8006566391   0.6683648163
H    4.0233306340   0.1232804172   2.1714824330
H    4.9901523401  -1.3266411278   1.8188616881
H   -3.6577065048   2.6882162327  -3.0976088609
H   -3.5211160607   4.3853751275  -2.5939883982
H   -3.9218762955   3.1401085148  -1.3952348350
H   -5.7016822267  -3.4967384946   0.2482810434
H   -2.4050024054  -6.5231613273   0.8614276700
H   -2.2964513656  -6.2240941269  -0.8877099600
H   -3.4993351635  -7.3616762077  -0.2535568033
H   -4.1510615837   0.7405786178   0.0948497312
H   -5.6673028382   0.9337329110   0.9896304297
H   -4.2006877495   0.4507675036   1.8558732133
H   -0.1293244699  -3.1167865503   0.6833875217
*