! 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   -1.9616869377   0.4268395246   1.1599140865
O   -1.3464625357   0.6452554957  -2.5491052628
N   -1.8588886543  -0.1137960211  -0.4450138669
C    1.9423564179  -2.1207148940   0.2772756505
C    0.7389191675  -1.5257551062  -0.4457717719
C    3.2325263102  -1.3122864369   0.1039645987
C   -0.5730429897  -2.2030556688  -0.0807251694
C    3.4719813840  -0.2511771712   1.1797279796
C   -1.7902008322  -1.5418387366  -0.7147363492
C    2.4235714241   0.8512545111   1.3140220511
C    2.3031418368   1.7518840345   0.0927946671
C   -1.5241023274   0.8619746430  -1.3526592176
C   -1.4318033598   2.1360912086  -0.6598531631
C   -1.6268519917   2.0315673392   0.6633123163
H    2.0952474218  -3.1419150112  -0.0822423182
H    1.7160830083  -2.2137929653   1.3455593335
H    0.8972127985  -1.5834148009  -1.5272659661
H    0.6687227903  -0.4626996740  -0.2102701183
H    3.2524352993  -0.8586764355  -0.8922961772
H    4.0868556758  -1.9933750184   0.1287646487
H   -0.6872198756  -2.2181439205   1.0080753990
H   -0.5666839286  -3.2495044740  -0.3961152203
H    4.4445032259   0.2171901360   0.9953847873
H    3.5647738583  -0.7610373923   2.1439344471
H   -2.7098260022  -2.0162977796  -0.3700826581
H   -1.7660553430  -1.6460785801  -1.7982611188
H    1.4466745138   0.4213235998   1.5564113754
H    2.6895567374   1.4678848727   2.1770093749
H    1.9768387208   1.2095857799  -0.7961787575
H    1.5790510359   2.5496878476   0.2631298790
H    3.2606123822   2.2200043826  -0.1451494179
H   -1.2061904279   3.0568645208  -1.1753791944
H   -1.6094255826   2.8215096432   1.3996219209
*