! 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   -1.4062187176   1.5536596343   0.6485855212
O   -3.3494267997  -0.8618025570  -1.4894284676
N   -1.7858528418   0.0872401570  -0.1112478776
C    1.8661175359  -2.4033389814   0.2855851884
C    1.2623192617  -2.0306963819  -1.0690994863
C    2.5804502856  -1.2662485804   1.0117682956
C    0.3182583949  -0.8320540538  -1.0497249683
C    3.7488946070  -0.6705203287   0.2351783597
C   -0.8414941627  -1.0149767511  -0.0814504111
C    4.5300819332   0.3869814145   1.0100497416
C    3.7170438858   1.6283624148   1.3504742578
C   -2.9463856625   0.1011163258  -0.8399667858
C   -3.5721421780   1.4051376959  -0.6944799873
C   -2.8538733211   2.2541365789   0.0573583790
H    2.5688004121  -3.2277725251   0.1330283231
H    1.0844066838  -2.8025458151   0.9385091680
H    0.7270170565  -2.8992797554  -1.4633605945
H    2.0608905495  -1.8242237657  -1.7858208721
H    2.9490514840  -1.6447373059   1.9705153507
H    1.8606709615  -0.4814012318   1.2655147720
H   -0.0829455273  -0.6768668266  -2.0541692198
H    0.8696723455   0.0795324763  -0.7977893652
H    3.3924901971  -0.2311741386  -0.7023558216
H    4.4304334313  -1.4784460930  -0.0503598003
H   -0.4919836803  -1.1333184994   0.9453116890
H   -1.4023860295  -1.9183082537  -0.3211712719
H    4.9255041313  -0.0549176851   1.9299348134
H    5.4008507321   0.6846980703   0.4199138781
H    4.3318212832   2.3771018863   1.8518787694
H    3.3072275967   2.0905306750   0.4497565528
H    2.8803714576   1.4042681473   2.0134146846
H   -4.5162886644   1.6457629227  -1.1587575196
H   -3.0921874854   3.2758721258   0.3141036517
*