! 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   -2.1766652774   0.1046084610  -1.6200692655
O   -1.8704329344   0.4761266810   2.1160406160
N   -2.0675859266  -0.3844850421  -0.0018228332
C    1.0862502790  -0.8709547401  -0.0153430445
C    0.5391583481  -2.2726820255   0.2345208384
C    2.5646897838  -0.7453744397   0.3311127830
C   -0.8554312090  -2.5591404493  -0.3136414455
C    3.0943686741   0.6690839689   0.1365406520
C   -2.0104483261  -1.8003313910   0.3259716180
C    4.5687127568   0.8249448357   0.4848858089
C    5.0702922627   2.2471933718   0.2852468856
C   -1.9719343168   0.6418798550   0.9011978096
C   -2.0062908062   1.9033522687   0.1806597106
C   -2.1113230769   1.7482016566  -1.1483873924
H    0.5348532540  -0.1363713724   0.5753364102
H    0.9363900577  -0.5965804607  -1.0651377037
H    0.5538144594  -2.4820700403   1.3090618709
H    1.2219516409  -2.9971753528  -0.2201141909
H    3.1455912755  -1.4423529162  -0.2825838930
H    2.7214257512  -1.0525575323   1.3709972122
H   -1.0756325652  -3.6180833810  -0.1594282387
H   -0.8653222188  -2.4176247388  -1.3994371260
H    2.5051553442   1.3616906936   0.7478081704
H    2.9349753366   0.9755432022  -0.9032091931
H   -1.9505710546  -1.8623799803   1.4117497737
H   -2.9560708766  -2.2622608828   0.0361106979
H    4.7301198865   0.5220983366   1.5239651511
H    5.1619769983   0.1382694924  -0.1265613489
H    6.1262849005   2.3431112250   0.5410804711
H    4.9538593460   2.5657689214  -0.7524621458
H    4.5164864846   2.9527890329   0.9077041720
H   -1.9459263290   2.8561893892   0.6840722738
H   -2.1561240098   2.5187415778  -1.9039951946
*