! 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   -1.2926693481   0.6899468953   1.1448087252
O   -1.7855592878   0.0268819388  -2.5296658043
N   -1.6521744665  -0.1979519899  -0.2504302313
C    1.4334580674  -1.3163324542  -0.6613503218
C    0.4831428727  -2.5132564731  -0.6334271649
C    2.2220503533  -1.1072678431   0.6276689858
C   -0.7050140857  -2.4470600311   0.3259543853
C    3.2624039836   0.0074656160   0.5131755359
C   -1.8959097553  -1.6265245449  -0.1494582708
C    2.6892066987   1.4244926077   0.5007898388
C    2.2150513156   1.8929800452   1.8690482983
C   -1.5760950489   0.5135418223  -1.4205074026
C   -1.2258699468   1.8895523913  -1.1055305967
C   -1.0440667689   2.1006966099   0.2074530749
H    0.9018960711  -0.4010803474  -0.9297991873
H    2.1493797852  -1.4834887003  -1.4726197046
H    1.0721986625  -3.3990878414  -0.3770860289
H    0.1049012858  -2.6940813846  -1.6444007797
H    2.7317271190  -2.0428833094   0.8787868853
H    1.5463479983  -0.9022723553   1.4633060208
H   -0.3895381488  -2.1156835076   1.3201066604
H   -1.0905190489  -3.4590487782   0.4706290722
H    3.8453991019  -0.1569684710  -0.3985521316
H    3.9745463562  -0.0721718780   1.3406993104
H   -2.7451252596  -1.7879342573   0.5170150154
H   -2.2099125927  -1.9541326364  -1.1399210332
H    3.4565767316   2.1149558822   0.1410073834
H    1.8677957945   1.4944599498  -0.2187814331
H    1.4475821932   1.2388293828   2.2847360214
H    3.0430092719   1.9172160688   2.5806316863
H    1.7945030132   2.8989391953   1.8238839522
H   -1.1207091781   2.6457229881  -1.8684801343
H   -0.7832077985   3.0261446964   0.6997673655
*