! 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   -1.8637807961   0.1829125937  -1.5902989748
O   -1.1332286941   0.7188568685   2.0652856247
N   -1.7832481266  -0.1882092207   0.0605708524
C    1.2873911655  -1.2868351642  -0.1866325522
C    0.4593089901  -2.2896399779   0.6107442793
C    2.6581223077  -1.0458594531   0.4313298566
C   -0.9463088183  -2.5537723378   0.0712861729
C    3.4962722430  -0.0005476769  -0.3001983689
C   -2.0114437379  -1.5543544361   0.5014485059
C    2.8707478883   1.3915434938  -0.3809709099
C    2.5203210170   1.9920947804   0.9727443518
C   -1.3003156011   0.8232263322   0.8522995242
C   -1.0433704656   1.9861509132   0.0180624692
C   -1.2932947215   1.7675988760  -1.2826945886
H    0.7601248270  -0.3357692355  -0.2687348133
H    1.4061659267  -1.6504784853  -1.2130506714
H    0.3901056171  -1.9605475195   1.6528259929
H    1.0035994993  -3.2380734601   0.6337745529
H    3.2130652308  -1.9890928436   0.4552155275
H    2.5335674337  -0.7511365011   1.4782992633
H   -1.2956893773  -3.5242791819   0.4319384752
H   -0.9234887842  -2.6369349724  -1.0200941639
H    3.7057526555  -0.3534065558  -1.3150169459
H    4.4680028110   0.0787682143   0.1975731466
H   -2.0754042555  -1.5171921477   1.5882944984
H   -2.9907216947  -1.8759301091   0.1422514496
H    3.5722630974   2.0537481404  -0.8954941615
H    1.9747515938   1.3673604796  -1.0080938750
H    1.7270179637   1.4385133206   1.4781963235
H    3.3869773424   2.0036531215   1.6377711749
H    2.1750646605   3.0217453000   0.8680713116
H   -0.6736330684   2.9152654189   0.4237947362
H   -1.1826870120   2.4596051598  -2.1046294575
*