! 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   -2.4353196206   0.7580309677  -1.0429886119
O    4.7291782336  -0.2163637534  -1.1099779182
O   -2.8448334926   0.4970593665  -2.4049164586
O   -3.0232321259   1.8642276730  -0.3114106373
O    1.2734858818   2.5552647274  -0.0474204115
O   -0.1770299630  -0.8919485915  -1.9535385459
O   -3.0405173258   0.8999096202   2.9298456728
O   -1.0444071190   1.0292856241   1.9259997961
N    3.2504046965   1.3938308418  -0.4312321056
N    1.4265285341   0.4792827659  -1.1163885897
N   -0.7969281948   1.0878739844  -1.0280696945
N    2.4318369895  -0.3961550411  -1.4584159979
C   -2.6341321960  -0.7242940793  -0.0948261485
C    3.4927371639   0.1878267304  -1.0294603791
C   -2.5661386035  -0.6884153397   1.2991807317
C    1.9055946837   1.6057369242  -0.4722954502
C    0.1151983407   0.1439026256  -1.4111845006
C    5.0032184271  -1.5405437805  -1.6274652866
C   -2.9679844882  -1.8879633219  -0.7686857046
C    5.2765687160  -2.5122256783  -0.5022284665
C    4.2335199309   2.2934181968   0.1339429842
C   -2.8387400267  -1.8501459421   2.0068146633
C   -3.2199350166  -3.0441712723  -0.0458852446
C   -3.1548517994  -3.0242299145   1.3367714571
C   -2.1275104431   0.5182602270   2.0629850991
C    4.1005986996  -2.7558510987   0.4309389909
C   -2.7190377501   2.0112692816   3.7762174882
H   -0.4942550735   1.8914627388  -0.4737353159
H    5.8836378229  -1.4192897363  -2.2555601999
H    4.1786440725  -1.8729726790  -2.2580429996
H   -3.0411635934  -1.9035079279  -1.8459715364
H    5.5701342708  -3.4511276464  -0.9782497387
H    6.1464696990  -2.1742470988   0.0658317504
H    4.9401322476   2.6121312221  -0.6279922396
H    3.7191982174   3.1682254165   0.5189691298
H    4.7658142872   1.8141477243   0.9515123151
H   -2.7906238304  -1.8478990181   3.0872565629
H   -3.4741050697  -3.9547494613  -0.5695382084
H   -3.3544114442  -3.9231020291   1.9032445808
H    3.8238344865  -1.8607668894   0.9898425228
H    3.2197521892  -3.0974058884  -0.1135438635
H    4.3526797762  -3.5219761280   1.1642564458
H   -1.8592485049   1.7898216896   4.4067013423
H   -3.5937677586   2.1708906669   4.3983197951
H   -2.5231975693   2.9075385654   3.1893297634
*