! 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    2.1984922770   0.1758428737  -1.9002375975
S    2.3062421130  -0.4141207745   0.9472247585
O    0.9077620546  -0.4545074907  -1.7086714565
O    2.2821679395   1.4112205877  -2.6532004010
O    3.0969880965   0.0444491014   2.0605286527
O    2.2939650749  -1.8132395200   0.5906619431
O    1.0484530510   2.2020621275   1.4765088851
O   -5.3931511763   0.8003884980  -0.1376699481
O   -2.4572520475  -2.7910179154   0.0259924655
N    2.7946693535   0.5171350651  -0.3556044159
N    0.7200093409  -0.0289936579   1.1676818001
N   -1.0488837493   1.4700413583   1.0796120811
N   -3.2185555068   1.1425653223   0.4797310284
N   -1.7370064501  -0.6906427231   0.5715225957
C    3.9671977534   1.3896896587  -0.2043167971
C    3.3487996423  -0.9841077277  -2.5672632849
C    0.2968549885   1.2769222459   1.2565733370
C   -2.0400178845   0.5894702796   0.6917959569
C   -4.1858769983   0.3180572944   0.1006242535
C   -2.7139036787  -1.5038638170   0.1804269537
C   -3.9954261661  -1.0479020950  -0.0720714464
C   -5.6219645070   2.2011477126   0.0021517478
C   -1.1245205630  -3.2574530246   0.2300279129
H    3.7955113664   2.1121664588   0.5872072747
H    4.1033493957   1.9473129535  -1.1258232072
H    4.8723051600   0.8207608680  -0.0068956502
H    3.3400960036  -1.8911935568  -1.9686694494
H    3.0386408319  -1.2077374209  -3.5871528088
H    4.3437181945  -0.5439486325  -2.5764490426
H   -1.3429018940   2.4340960625   1.1676993295
H   -4.7906709200  -1.7070536408  -0.3874704055
H   -4.9921171917   2.7812897548  -0.6712145433
H   -6.6641528409   2.3542742413  -0.2633992630
H   -5.4604815607   2.5355773238   1.0262851258
H   -0.7933331832  -3.0953904457   1.2557360990
H   -1.1535778163  -4.3253932536   0.0341903279
H   -0.4275404751  -2.7906037279  -0.4662807459
H    0.0097909524  -0.7221041694   0.8752712142
*