! 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   -1.0265945557   1.1520750121  -1.1906299263
O   -3.2637657091  -1.0361137025   0.8967267752
N   -1.8408123180  -0.2513803934  -0.7114604656
C    0.9390683117  -1.0436026832   0.9601390153
C    0.8043894259  -1.7790318123  -0.3713806800
C    2.3151374449  -0.4218710448   1.1844016264
C   -0.5716738477  -2.4083167700  -0.6061326689
C    2.6029966271   0.7797821522   0.2897996292
C   -1.5686500802  -1.5296399064  -1.3491121364
C    3.9127262423   1.4941605425   0.6105774869
C    5.1566474848   0.6529861337   0.3596020294
C   -2.6235291558  -0.1088359539   0.4039240862
C   -2.5551735609   1.2724453973   0.8490020426
C   -1.7420386966   2.0289072533   0.0927521203
H    0.7340305017  -1.7573165612   1.7640168463
H    0.1786770353  -0.2619915266   1.0559260338
H    1.5599142034  -2.5693280950  -0.3932131213
H    1.0533073320  -1.1165362907  -1.2066160533
H    3.0811693181  -1.1918471009   1.0460545154
H    2.3929901713  -0.1045490082   2.2293172330
H   -1.0040054456  -2.7317426316   0.3443524176
H   -0.4672627233  -3.3114948807  -1.2117136089
H    1.7772622047   1.4916066927   0.3875093144
H    2.6119494144   0.4761780619  -0.7619032278
H   -2.5192703356  -2.0511530922  -1.4627559892
H   -1.2094407216  -1.3273309113  -2.3588693399
H    3.9735072955   2.4041632908   0.0077052508
H    3.8992258730   1.8244385494   1.6540472799
H    5.2023856013  -0.2211987722   1.0104385492
H    5.1898585541   0.2960775686  -0.6719852870
H    6.0652605878   1.2312153825   0.5343620132
H   -3.1079218621   1.6319351329   1.7037101556
H   -1.5200551884   3.0799491899   0.2065170575
*