! 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    1.5102154252   0.1767116004   1.6326727212
S    3.6158321308  -1.8704038310  -1.4104977607
O    1.9588250649   1.5352750753   1.8656945062
O    1.6289145960  -0.8044276606   2.6878485967
O   -5.1715276216  -1.1493764365  -0.8327798701
O    0.9978882594   2.0871029063  -0.8387860449
O   -0.4613333734  -1.8381725728   0.7326595187
O   -2.2503876012   1.9583363828   0.7796809161
O    3.0050840549   2.6251594327  -1.6605154899
N   -0.1097117432   0.3461294864   1.2502019127
N   -2.1461642464  -0.3510284765   0.4212263591
N   -3.9798364676   0.6617963498  -0.0763806784
N   -2.9898918401  -1.3265142667  -0.0584838962
C    2.2849299738  -0.4305918621   0.1841233573
C    2.7811822855  -1.7056027614   0.0776189878
C    2.6108281225   0.4119994412  -0.9311085871
C    3.3414641543  -0.2526220190  -1.8625930239
C   -0.8596391159  -0.7035025438   0.8044963106
C    2.7427645146  -2.8802138071   0.9931227222
C   -2.7344871613   0.8999102645   0.4199953508
C   -4.0608195240  -0.6762030780  -0.3399938740
C    2.2447200967   1.8275737417  -1.1686599123
C   -5.0126007250   1.6534844635  -0.2895618629
C   -5.2060360232  -2.5551959361  -1.1092456639
C    0.5456025515   3.4381352536  -0.9772946260
H   -0.4850656952   1.2951013642   1.2171594826
H    3.7067445519   0.1298942224  -2.8034953639
H    3.2082102857  -3.7457517853   0.5234914108
H    3.2830682665  -2.6772332089   1.9163961961
H    1.7196043770  -3.1480146939   1.2473031304
H   -5.2738154023   1.7116429301  -1.3429715348
H   -4.6338398763   2.6192556566   0.0294004811
H   -5.8961164111   1.4150659473   0.2966686608
H   -4.4448373549  -2.8254018421  -1.8398887356
H   -6.1911957728  -2.7524689834  -1.5185216831
H   -5.0657423741  -3.1338980790  -0.1971876834
H   -0.4938233881   3.4367395985  -0.6663656313
H    0.6114965351   3.7722370627  -2.0113585063
H    1.1160873301   4.1093355925  -0.3365392523
*