! 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   -2.5092190663   1.7646007353   0.3449198865
O   -3.0986629536  -1.3745530002  -1.6515968366
N   -2.1344624860   0.4536983314  -0.6632893129
C    2.3294923441  -1.3022434631   0.8221958706
C    1.4783789761  -0.7400912065  -0.3094977441
C    3.7230602934  -1.7490804337   0.3878789068
C    0.0465706309  -0.4483284709   0.1204989709
C    4.5967704154  -0.6603455559  -0.2328650763
C   -0.7532079465   0.1756616544  -1.0133059870
C    4.8378725450   0.5629499172   0.6486849333
C    5.4865921084   0.2405714103   1.9873488548
C   -3.1963957410  -0.3570799629  -0.9683057005
C   -4.3961213555   0.1977533931  -0.3627414039
C   -4.1595956364   1.3059741081   0.3568430216
H    1.8141663743  -2.1614375407   1.2624993917
H    2.4033626545  -0.5591575973   1.6228358299
H    1.4682603380  -1.4485684006  -1.1447417650
H    1.9294275262   0.1795560054  -0.6948015215
H    3.6219580882  -2.5649010089  -0.3346276753
H    4.2372428446  -2.1827396479   1.2502888008
H    0.0530421938   0.2264600582   0.9823301530
H   -0.4430992735  -1.3706906783   0.4448883735
H    4.1590752311  -0.3324396297  -1.1802342822
H    5.5636606046  -1.1023847633  -0.4935196179
H   -0.7773978711  -0.4888596893  -1.8766338563
H   -0.2852614611   1.1037104869  -1.3471349268
H    5.4775513665   1.2604115167   0.1012124941
H    3.8980913728   1.0968013279   0.8186905598
H    5.7093146022   1.1503349271   2.5465613189
H    4.8427985701  -0.3748410755   2.6176317824
H    6.4260984930  -0.2996738600   1.8525556915
H   -5.3669988497  -0.2570418988  -0.4865211876
H   -4.8723801659   1.9034576589   0.9059601336
*