! 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   -3.2435871352  -0.3709415044  -1.0384085399
O   -1.2692863101   1.6308222009   1.4646590553
N   -2.0500911837  -0.0489895992   0.1201729527
C    2.0106326571  -1.5564436897   0.9492052939
C    1.3427773537  -1.7444861696  -0.4126759369
C    2.4976107094  -0.1368228341   1.2343126631
C    0.1682490034  -0.8091913878  -0.6859362488
C    3.4805909971   0.4250419612   0.2099991093
C   -0.9524454121  -0.9758354748   0.3291644281
C    4.7524423084  -0.3996798784   0.0516151459
C    5.7515120498   0.2392970215  -0.9010408713
C   -2.0964356005   1.2107880314   0.6575254588
C   -3.2524896834   1.9060880048   0.1165440152
C   -3.9267135365   1.1800505020  -0.7896849546
H    2.8480166688  -2.2554365256   1.0214686658
H    1.3218284289  -1.8539881543   1.7449661850
H    1.0024736537  -2.7808334444  -0.4979822265
H    2.0815153330  -1.6106046166  -1.2075285527
H    2.9699836973  -0.1256973882   2.2214495814
H    1.6385763496   0.5371096074   1.3132840525
H   -0.2210963271  -1.0080339861  -1.6880404504
H    0.4996649059   0.2325279421  -0.6861707195
H    3.7527159967   1.4417637889   0.5106229506
H    2.9931580338   0.5268298338  -0.7656405424
H   -0.5974840577  -0.8053341076   1.3445535820
H   -1.3468261729  -1.9933802107   0.3069030951
H    5.2178418188  -0.5383496951   1.0326300020
H    4.5055437792  -1.4017842556  -0.3100373755
H    5.3278001475   0.3540958757  -1.9006692634
H    6.0516457711   1.2308164187  -0.5565905543
H    6.6560890244  -0.3628995988  -0.9964730991
H   -3.5178395010   2.9076319163   0.4186258125
H   -4.8130217629   1.4639894767  -1.3376407415
*