! 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   -2.6234260833  -0.2243735772   1.0098410133
O   -0.6900424690   0.9874626385  -1.9862175937
N   -1.8632355211  -0.3089407190  -0.5007062698
C    0.9935286247  -1.2034849554   0.9725493648
C    0.7378111571  -1.8923036194  -0.3665979524
C    2.3342626856  -0.4762802264   1.0355486292
C   -0.6586216061  -2.5035428128  -0.5066831176
C    2.3234959987   0.8685922730   0.3157465236
C   -1.6923571390  -1.5942474398  -1.1563594356
C    3.6611012719   1.6018931304   0.3421627393
C    4.7578537320   0.9127759172  -0.4552583692
C   -1.2903291344   0.8649231229  -0.9216380402
C   -1.5392439776   1.8895079800   0.0781502157
C   -2.2248997247   1.4362554373   1.1395828166
H    0.9522096434  -1.9627805342   1.7590559946
H    0.1968498828  -0.4920464125   1.2080125937
H    1.4819454737  -2.6857836487  -0.4779012629
H    0.9176152860  -1.2022650136  -1.1957352941
H    3.1130673125  -1.1261885790   0.6240161085
H    2.6056436794  -0.3059415854   2.0821728860
H   -1.0176568648  -2.8493223307   0.4675678397
H   -0.6137455875  -3.3942941340  -1.1374706887
H    1.5631931915   1.5010406955   0.7858769733
H    2.0046124980   0.7421169927  -0.7238394172
H   -2.6613278752  -2.0948630053  -1.2035389645
H   -1.4044055068  -1.3746135554  -2.1835828089
H    3.5183008387   2.6108357100  -0.0527253406
H    3.9864073982   1.7277608912   1.3793593537
H    5.0001377284  -0.0720610327  -0.0560748593
H    4.4611320505   0.7806965132  -1.4971871139
H    5.6773624213   1.4991720997  -0.4474540274
H   -1.1938083983   2.9044292265  -0.0419804769
H   -2.5408892443   1.9912451084   2.0100265965
*