! 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    3.2363188972   0.0344946160  -0.0897265013
O   -1.1600049385   2.0484957391   0.5371686896
N    0.8139023394   1.0079730167   0.2119984249
N   -0.4235310626  -1.2937407969  -0.3585375834
N    0.9216954253  -1.2411622538  -0.3710718620
N    1.5526872721   2.1462131856   0.4860843473
C   -2.6695418183  -0.4479045462  -0.0890660265
C   -1.1628671653  -0.2752583192  -0.0762898414
C   -3.0390362082  -1.8798806367  -0.4754706424
C   -3.2973673568   0.5018892012  -1.1185247636
C   -3.2386043378  -0.1669088880   1.3085376688
C   -0.5684699613   1.0243852464   0.2518999346
C    1.5031588378  -0.1212077251  -0.0931226848
C    3.7070307058  -1.6463175167  -0.5441076916
H   -2.6832767376  -2.1430119110  -1.4716215022
H   -4.1260229914  -1.9769293725  -0.4755442610
H   -2.6419679745  -2.6138223020   0.2256496622
H   -4.3728717227   0.3234361000  -1.1703783162
H   -2.8875962590   0.3300577793  -2.1155592586
H   -3.1527039523   1.5505863153  -0.8684963053
H   -2.8001439490  -0.8328070238   2.0540921425
H   -3.0757508278   0.8588597755   1.6325506179
H   -4.3160512351  -0.3413474074   1.3058051524
H    1.3162945336   2.8622817751  -0.1919784740
H    1.2988292096   2.4891734469   1.4054375591
H    4.7951574989  -1.6411609259  -0.5741645456
H    3.3295838767  -1.9189016233  -1.5258059919
H    3.3792154267  -2.3712242693   0.1958128175
*