! 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   -2.6261771483  -0.1511584692  -1.6685965154
O   -2.4865886253   0.9261678528   1.9386152282
N   -2.3454900289  -0.2878850240  -0.0022807508
C    2.0863197051  -0.5270170315  -0.0633300493
C    0.6599468692  -0.3932420092   0.4563884620
C    2.9832734269   0.6287845630   0.3624758728
C   -0.2170740748  -1.5697195014   0.0535616929
C    4.3620513503   0.6225082656  -0.2934549093
C   -1.6609827362  -1.4590089276   0.5193572113
C    5.2157643740  -0.6127105603  -0.0156655220
C    5.5253309485  -0.8277737365   1.4588262187
C   -2.6580825721   0.8317492127   0.7250996727
C   -3.2149622304   1.8307025054  -0.1728866116
C   -3.2434867355   1.4315711216  -1.4538583043
H    2.0647480097  -0.5856180274  -1.1573069909
H    2.5083588270  -1.4761412745   0.2823037676
H    0.2315994751   0.5405035234   0.0775877946
H    0.6702217183  -0.3044702331   1.5475998225
H    3.0827494087   0.6283760671   1.4526093404
H    2.4888271037   1.5723397468   0.1113111318
H    0.1854178358  -2.4940910557   0.4758101457
H   -0.1873844505  -1.7004060452  -1.0332250957
H    4.9121642840   1.5103408644   0.0344103726
H    4.2364090562   0.7284944916  -1.3756279926
H   -1.7105418908  -1.3866200010   1.6047870846
H   -2.2217475172  -2.3507966580   0.2363535989
H    4.7300832533  -1.5050418189  -0.4205054895
H    6.1550015556  -0.5127407042  -0.5661898176
H    6.2078784166  -1.6669240803   1.6003175360
H    5.9965090584   0.0547873934   1.8968556826
H    4.6274497900  -1.0421460861   2.0404254678
H   -3.5567411686   2.7931612819   0.1759394900
H   -3.6047217109   1.9814481432  -2.3104801797
*