! 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   -3.3427330372   0.0260030789   1.0297945497
O   -2.8203292042   0.5398754731  -2.6642584931
N   -2.5993397544  -0.1324039816  -0.4837616271
C    2.3280541468  -0.0223016922   0.4569336837
C    1.1566936757  -0.7647871367  -0.1719555518
C    3.6615318807  -0.7315137960   0.2631250260
C   -0.1686305577  -0.0402622157   0.0190296816
C    4.8317922651   0.0115109144   0.8935532023
C   -1.3215162711  -0.8133611305  -0.6013123978
C    6.1690386806  -0.6912857700   0.7001802448
C    7.3291670411   0.0598009898   1.3347234315
C   -3.2341649845   0.5232923151  -1.5062889057
C   -4.4342615651   1.1527251002  -0.9824896621
C   -4.5934886437   0.9670178232   0.3376375032
H    2.1397624223   0.1104332404   1.5277222143
H    2.3877178440   0.9855307289   0.0322677466
H    1.0897166341  -1.7695212989   0.2584930397
H    1.3445295167  -0.9030280661  -1.2418369601
H    3.8497971913  -0.8634921203  -0.8079477446
H    3.6017727561  -1.7401981017   0.6864045494
H   -0.1178309467   0.9551300093  -0.4309651699
H   -0.3509326234   0.1062781685   1.0883380604
H    4.6441756990   0.1422881197   1.9650586166
H    4.8897960666   1.0212028519   0.4720747072
H   -1.4076210555  -1.8055082015  -0.1532807567
H   -1.1501196161  -0.9646711103  -1.6666236593
H    6.1126567735  -1.6998137767   1.1213703114
H    6.3587551476  -0.8206356299  -0.3697877120
H    7.1862586760   0.1746120264   2.4110407361
H    8.2759395496  -0.4606311630   1.1839071933
H    7.4336678359   1.0602779637   0.9103126814
H   -5.1107533767   1.7145111350  -1.6079349904
H   -5.3931614963   1.3308161829   0.9657409775
*