! 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   -3.0973113076  -0.8177934348   0.3974656991
O   -1.3411549775   2.1535237935  -1.1139807065
N   -1.9282032034   0.3998331825   0.2460161255
C    1.5459154620  -0.1365034408  -0.8594643421
C    0.6100853989  -1.1844440831  -0.2583235537
C    2.7391800037   0.2508174845   0.0109568806
C    0.0442680785  -0.8380756963   1.1139140342
C    3.6529011141  -0.9176888438   0.3624050978
C   -0.7978468828   0.4296817914   1.1596196205
C    4.8814543334  -0.5257858563   1.1791440946
C    5.8447169477   0.4002656831   0.4496014632
C   -2.0963718635   1.2229986873  -0.8373527228
C   -3.2909152186   0.8116755233  -1.5559915749
C   -3.9010048882  -0.2479265002  -1.0027141245
H    0.9811158811   0.7662875570  -1.1060005271
H    1.9167948578  -0.5202406344  -1.8149102935
H    1.1329795783  -2.1406373128  -0.1757053157
H   -0.2109855899  -1.3652663893  -0.9588093066
H    2.3944858697   0.7300093463   0.9342485543
H    3.3085469931   1.0169920978  -0.5220831804
H    0.8512218793  -0.7092105383   1.8402292505
H   -0.5430236605  -1.6830492847   1.4853664304
H    3.9756950971  -1.4140272654  -0.5600598696
H    3.0882367282  -1.6672479482   0.9249886957
H   -0.2087176445   1.3046191813   0.8892715668
H   -1.1625335983   0.5997011566   2.1741939240
H    4.5602874092  -0.0560900230   2.1141022606
H    5.4151144523  -1.4352655509   1.4676722348
H    5.3971455210   1.3697628380   0.2278658920
H    6.7381116659   0.5886511217   1.0465586528
H    6.1699435575  -0.0353507660  -0.4976160644
H   -3.6329488721   1.3218033377  -2.4433862550
H   -4.7996732000  -0.7446488023  -1.3374452109
*