! 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   -1.5569863093   0.3379433339  -1.7007144896
O   -1.6872550664   0.7431602889   2.0374654385
N   -1.7349720868  -0.1215039707  -0.0793557034
C    1.9304539869  -2.4139837156   0.0812057364
C    0.4783385160  -2.3427491669  -0.3863892698
C    2.4958086118  -1.0851079119   0.5829703171
C   -0.5159067605  -2.1187788370   0.7520869263
C    2.5702985456  -0.0005963284  -0.4873020415
C   -1.8450394031  -1.5202661314   0.3132132482
C    3.2219500538   1.2957120704  -0.0141306489
C    2.4093655927   2.0392521881   1.0369102749
C   -1.6086857068   0.9039528177   0.8209998156
C   -1.3933742759   2.1433505247   0.0943181009
C   -1.3411693295   1.9708033366  -1.2363635387
H    2.5530842698  -2.7723500843  -0.7439796074
H    2.0172645737  -3.1641169377   0.8733645019
H    0.2173240485  -3.2681920051  -0.9059231497
H    0.3897018858  -1.5543525249  -1.1377249632
H    3.5032151622  -1.2615755824   0.9730002583
H    1.9086572338  -0.7298446256   1.4342107167
H   -0.0905682973  -1.4751666265   1.5252667614
H   -0.7269902188  -3.0722073851   1.2424702400
H    1.5677495839   0.2353496551  -0.8606127683
H    3.1284390355  -0.3907963908  -1.3445600552
H   -2.5734447544  -1.5730683078   1.1219911399
H   -2.2721426651  -2.0781580520  -0.5211959822
H    4.2221218841   1.0821079189   0.3755106683
H    3.3676200453   1.9509598943  -0.8769528664
H    2.3039616990   1.4667853114   1.9594374628
H    2.8747630615   2.9906958357   1.2980168649
H    1.4029179001   2.2547686671   0.6704220645
H   -1.2834798921   3.0937247651   0.5939613839
H   -1.1928223549   2.7242528893  -1.9959156530
*