! 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   -2.7127794426   0.1474214126  -1.2549474973
O   -0.9458380284   0.5289691200   2.0520400413
N   -1.9595756503  -0.3416794445   0.1847726441
C    1.5076174412  -1.6089750237   0.5234017956
C    0.6495856912  -1.5369084075  -0.7345828347
C    2.8174299549  -0.8323578528   0.4203442553
C   -0.6652758206  -2.3007619288  -0.6350123660
C    2.6260049926   0.6766076248   0.2907624085
C   -1.6512334110  -1.7479518563   0.3875034298
C    3.9127319282   1.4785547614   0.4633075688
C    4.9593234282   1.2011528100  -0.6066240320
C   -1.5262503005   0.6874573039   0.9810210568
C   -1.8857339018   1.9482529910   0.3514958634
C   -2.5130471893   1.7920483112  -0.8244707155
H    1.7288644406  -2.6598081303   0.7372222911
H    0.9485534914  -1.2328413672   1.3845417943
H    1.2194316210  -1.9457169294  -1.5743995599
H    0.4452742973  -0.4944217599  -0.9969799164
H    3.3998723355  -1.2143568146  -0.4239784813
H    3.4140153544  -1.0348278914   1.3160012185
H   -0.4744463596  -3.3426927584  -0.3633605886
H   -1.1431787567  -2.3326041670  -1.6183857405
H    1.8959405353   1.0032253077   1.0390765652
H    2.1873344474   0.9187549899  -0.6823583713
H   -1.2634469013  -1.8335771986   1.4006796404
H   -2.5790933192  -2.3216604114   0.3580700798
H    3.6693907419   2.5444982204   0.4546700000
H    4.3373789197   1.2735054398   1.4510735735
H    5.8350863207   1.8385119033  -0.4766692392
H    5.3068788852   0.1674592233  -0.5827664316
H    4.5613801071   1.3908103499  -1.6057505453
H   -1.6611775408   2.9016537280   0.8040349740
H   -2.8865459796   2.5628587735  -1.4820876474
*