! 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   -3.1824940458  -1.0856295769   0.0299346375
O   -2.5297040568   2.3919576937  -1.2553494060
N   -2.3085529436   0.1941940497  -0.6533071065
C    2.3062252273   0.2765135793   1.3260420798
C    1.4345811059   0.0514495430   0.0964769056
C    3.8013618238   0.1156974639   1.0650753082
C   -0.0451861876   0.2814167991   0.3737629616
C    4.2149614936  -1.3007168714   0.6775259768
C   -0.8801210742   0.0665138012  -0.8790124370
C    5.7255000198  -1.5059653475   0.6038126611
C    6.4097172699  -0.6834466201  -0.4789247822
C   -3.0209933762   1.3525836013  -0.8183239433
C   -4.3934340144   1.1194770351  -0.4006866349
C   -4.5968600090  -0.1215760608   0.0695965465
H    2.0001754334  -0.4141344078   2.1193185550
H    2.1198210487   1.2834606716   1.7116792347
H    1.5700150985  -0.9675195960  -0.2781410319
H    1.7645030637   0.7187398164  -0.7070572076
H    4.3489908307   0.4070693517   1.9673672614
H    4.1038105257   0.8229163564   0.2862663412
H   -0.2060612521   1.2971819427   0.7457614533
H   -0.3800738845  -0.3999317511   1.1620134365
H    3.7732105538  -1.5718162173  -0.2866108083
H    3.7981508095  -2.0012377714   1.4086985142
H   -0.6863912099  -0.9189998647  -1.3065305341
H   -0.6147980507   0.7941334165  -1.6455065702
H    6.1697238161  -1.2711077004   1.5761162834
H    5.9294109500  -2.5653761000   0.4269225295
H    6.3233880077   0.3886519273  -0.2975839510
H    7.4743010118  -0.9147343063  -0.5364344553
H    5.9772530161  -0.8862595029  -1.4610161975
H   -5.1550968810   1.8813197539  -0.4652224543
H   -5.5177920207  -0.5451940363   0.4418788616
*