! 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   -2.8045282693  -0.0353182134   0.7492911561
O   -0.3180150371   1.1685910289  -1.8120807933
N   -1.7165301327  -0.1382659997  -0.5466922503
C    1.7404948450  -1.5866019531  -0.2479537824
C    0.5351358438  -1.7478574042   0.6728178656
C    3.0289779482  -1.2467343580   0.4978570113
C   -0.6949550371  -2.3356780482  -0.0076692489
C    3.0209802454   0.0900725372   1.2375744359
C   -1.3336288849  -1.4421359929  -1.0629143856
C    2.8487249758   1.3200131693   0.3495376838
C    3.9583345096   1.4908789267  -0.6777905948
C   -1.1401786283   1.0530896352  -0.9053700770
C   -1.6761436916   2.1055856996  -0.0578845220
C   -2.5562800840   1.6550755101   0.8499962634
H    1.5371595105  -0.8295983239  -1.0109330904
H    1.8938041759  -2.5245370399  -0.7915846713
H    0.2770573361  -0.7898084353   1.1346332821
H    0.8102211222  -2.4077826834   1.5010470107
H    3.8644059558  -1.2679127025  -0.2075886936
H    3.2341718211  -2.0428367172   1.2207025029
H   -1.4418013262  -2.5960864941   0.7481278039
H   -0.4342438049  -3.2763055111  -0.5004371993
H    3.9622736352   0.1855368035   1.7884334195
H    2.2348177606   0.0859268775   1.9976928067
H   -2.2120298512  -1.9320059078  -1.4865593292
H   -0.6500649674  -1.2559200882  -1.8890495726
H    1.8826855889   1.2874242768  -0.1613923556
H    2.8159204464   2.2062096198   0.9891180784
H    4.9393221421   1.5189112989  -0.1989626383
H    3.9727720998   0.6783343784  -1.4054862517
H    3.8402315727   2.4204196995  -1.2362589987
H   -1.3801056267   3.1378317937  -0.1647570096
H   -3.0976237987   2.2263974011   1.5898620493
*