! 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   -1.3764939896   0.4881478196   1.2237307393
O   -1.6645687716   0.4062928382  -2.5309922286
N   -1.6686702447  -0.1707135464  -0.3104437535
C    1.8881065759  -2.3446353800  -0.1579773722
C    0.5672813077  -2.1864708288  -0.9090133909
C    2.1627214795  -1.2510914750   0.8744102731
C   -0.6662700155  -2.4196101769  -0.0342163231
C    2.3400408901   0.1402263813   0.2787060914
C   -1.8818512901  -1.6035559360  -0.4488378434
C    2.5726152897   1.2181568978   1.3287723707
C    2.7581639491   2.5988693900   0.7189304244
C   -1.5170599612   0.7122893579  -1.3494198962
C   -1.1726280458   2.0168351085  -0.8082181999
C   -1.0651326957   2.0210661513   0.5298686569
H    2.7091205493  -2.3603855966  -0.8811397184
H    1.9054186507  -3.3201806495   0.3381045703
H    0.5428412326  -2.8845632817  -1.7490657380
H    0.5331441808  -1.1925363935  -1.3615875522
H    3.0671910806  -1.5154351003   1.4309598882
H    1.3585613272  -1.2238148052   1.6168259791
H   -0.4443915649  -2.2120253529   1.0166581075
H   -0.9526344218  -3.4730697740  -0.0643791014
H    1.4594271708   0.4178060374  -0.3093730121
H    3.1799655049   0.1284430395  -0.4250934199
H   -2.7546512396  -1.8899950986   0.1401831593
H   -2.1335423691  -1.7794224664  -1.4938623655
H    1.7233724715   1.2342084159   2.0190908784
H    3.4490999543   0.9624739225   1.9323068086
H    3.6266856286   2.6264654234   0.0579630313
H    1.8880250894   2.8891948993   0.1263904879
H    2.9037929328   3.3624247202   1.4841909096
H   -1.0148522571   2.8785270594  -1.4383974649
H   -0.8223504125   2.8543418502   1.1726272341
*