! 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   -1.3793782735   0.8110125655   1.1029727574
O   -2.4812126346  -0.0539236612  -2.3948321145
N   -1.8597008677  -0.1769461170  -0.1899862695
C    2.0596678666  -2.1534901938  -0.7167738581
C    0.6067272596  -1.7687634038  -0.9902389921
C    2.7034808447  -1.4514304578   0.4787994972
C   -0.3400213645  -2.1105789390   0.1519536241
C    2.6484223781   0.0696693097   0.4105201254
C   -1.7651749257  -1.6230253169  -0.0643360905
C    3.3861162915   0.7522277469   1.5548039918
C    3.2664681227   2.2678292200   1.5035265612
C   -2.1490125951   0.4975884990  -1.3477896055
C   -2.0033314433   1.9242160748  -1.1064981247
C   -1.5979349257   2.2099036353   0.1405062072
H    2.6490126250  -1.9342373233  -1.6120038040
H    2.1243203355  -3.2360551131  -0.5703508025
H    0.2693838485  -2.2828098144  -1.8947634496
H    0.5528114218  -0.7003093826  -1.2179492274
H    3.7488336352  -1.7693888216   0.5417618633
H    2.2386829222  -1.7869343480   1.4111774299
H    0.0365187698  -1.7144477490   1.0996094211
H   -0.3858003778  -3.1950139889   0.2821990029
H    1.6063730472   0.4048232418   0.4222591444
H    3.0658094951   0.4082058063  -0.5445062032
H   -2.4078574845  -1.9499048207   0.7546517274
H   -2.1821697340  -2.0386140886  -0.9808200236
H    2.9903237118   0.3881131879   2.5078675494
H    4.4416439795   0.4647166116   1.5337736527
H    3.6740253860   2.6670171836   0.5728594986
H    2.2225472272   2.5822710084   1.5644389188
H    3.8007672440   2.7433730762   2.3269055812
H   -2.1981883853   2.6608526438  -1.8704834951
H   -1.4142591688   3.1835542107   0.5699600038
*