! 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   -3.3876958377  -0.3475186147   0.6762598045
O   -1.6438591495   1.5187197745  -2.0907995464
N   -2.1676592091   0.0168364822  -0.4427232172
C    2.2723990251  -0.6316839254  -0.3335497119
C    1.3256558185  -0.9295137806   0.8243593134
C    3.5504980772  -1.4672634121  -0.3170136435
C   -0.0011729251  -0.1795754917   0.7513669876
C    4.3931162909  -1.3516828306   0.9523243608
C   -0.8910598629  -0.6723489468  -0.3817813646
C    4.8088503930   0.0683432797   1.3274014478
C    5.6099106985   0.7822471961   0.2481475050
C   -2.4357701040   1.0879771428  -1.2548122681
C   -3.7688846547   1.5816437125  -0.9512625120
C   -4.3640727179   0.9123307167   0.0486658554
H    2.5182128095   0.4354196195  -0.3282050404
H    1.7676392874  -0.8125842032  -1.2867527386
H    1.8099522722  -0.6667345502   1.7678852838
H    1.1314696040  -2.0066401559   0.8755462319
H    4.1576927438  -1.1948141796  -1.1849497825
H    3.2858896692  -2.5193048001  -0.4617282909
H    0.1791475708   0.8926846703   0.6313115805
H   -0.5325597388  -0.3024733158   1.6992482980
H    5.2925452300  -1.9624079984   0.8247866446
H    3.8532285441  -1.7951992303   1.7937221850
H   -1.0778854126  -1.7435188812  -0.2823501581
H   -0.4182379633  -0.5292110486  -1.3521450657
H    3.9255022513   0.6632214245   1.5784030239
H    5.4040430455   0.0231497423   2.2433316746
H    5.0219174382   0.9501664620  -0.6554303265
H    5.9542054680   1.7579229474   0.5938089553
H    6.4920618043   0.2054903830  -0.0378316864
H   -4.2116066984   2.4095058844  -1.4837211648
H   -5.3464609552   1.0793804018   0.4655582957
*