! 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   -0.9393602658   1.4875759643  -0.9366306287
O   -3.3409389765  -1.0160661065   0.5265897945
N   -1.7403214239   0.0044035469  -0.7595116058
C    1.7257921371  -2.3071691650   0.7847022449
C    0.3101575392  -1.8835700688   0.3987558081
C    2.8094282849  -1.2670884821   0.5049129476
C    0.1543798532  -1.5679436237  -1.0818010419
C    2.5889735632   0.0617043103   1.2188540525
C   -1.2580544687  -1.1654145607  -1.4763156511
C    3.7188961519   1.0674128554   1.0194723084
C    3.8734183272   1.5359982148  -0.4204210018
C   -2.6939148014  -0.0159308444   0.2247327740
C   -2.7882459516   1.3104644569   0.8118281070
C   -1.9145475812   2.1826467967   0.2867414436
H    1.9784655744  -3.2321180661   0.2571653875
H    1.7367133436  -2.5541511679   1.8507016875
H    0.0130999225  -1.0183325367   0.9986696406
H   -0.3852009259  -2.6842299471   0.6670837130
H    2.8934440183  -1.1046392073  -0.5732898619
H    3.7747957536  -1.6794757688   0.8159909271
H    0.4163638895  -2.4459460568  -1.6788665238
H    0.8536754752  -0.7833643450  -1.3855282504
H    2.4630138915  -0.1292529437   2.2897912266
H    1.6526985825   0.5190387758   0.8808568531
H   -1.9619239183  -1.9679626101  -1.2599625886
H   -1.3145961326  -0.9721693279  -2.5488410092
H    3.5338181812   1.9359561820   1.6571501923
H    4.6611976260   0.6322707378   1.3671815522
H    4.1651655807   0.7251841907  -1.0890568876
H    2.9376040359   1.9526032663  -0.7999844356
H    4.6352646629   2.3120578187  -0.5043724271
H   -3.4908912966   1.5445189122   1.5962812739
H   -1.7788728995   3.2220506359   0.5465364032
*