! 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   -0.8437883758   0.7249048462  -1.4725237429
O   -3.0483503164  -0.3424422227   1.3820202033
N   -1.8633091655  -0.2846685394  -0.5730213240
C    0.9896217803  -1.2760703658   0.6970358563
C    0.4535250144  -2.2713168759  -0.3306803378
C    2.3086417452  -0.6353227576   0.2915133037
C   -1.0273519966  -2.6142106053  -0.1550535778
C    2.7966268423   0.3838110387   1.3139644143
C   -1.9883321284  -1.6980135984  -0.9023494666
C    4.0034038905   1.2011853501   0.8619272328
C    3.6864499405   2.1824886422  -0.2580039174
C   -2.3275538365   0.2655503608   0.5927158893
C   -1.8273407138   1.6250168690   0.7018351260
C   -1.0297845172   1.9751815083  -0.3215691463
H    1.0999529807  -1.7847349106   1.6603547151
H    0.2678342284  -0.4750307974   0.8751276592
H    1.0437791321  -3.1887537318  -0.2649002795
H    0.6245498262  -1.8904218313  -1.3439950212
H    2.1701112289  -0.1527825485  -0.6808283737
H    3.0743797680  -1.4046811278   0.1442415491
H   -1.2860730603  -2.6340005154   0.9066952365
H   -1.2253364077  -3.6199221829  -0.5330511796
H    3.0381718423  -0.1354411074   2.2463170911
H    1.9752938432   1.0698479453   1.5535176491
H   -3.0197788321  -1.9890190355  -0.7049543934
H   -1.8414173924  -1.8004261085  -1.9783932271
H    4.3958115652   1.7576524494   1.7171639309
H    4.8065704076   0.5275879133   0.5471877722
H    4.5612188354   2.7769428825  -0.5249804552
H    3.3493117069   1.6795305624  -1.1653602868
H    2.8979757624   2.8759348829   0.0422690121
H   -2.0746832594   2.2681500006   1.5322485846
H   -0.5394602399   2.9239563825  -0.4831480236
*