! 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   -2.8894862881   0.6004160786   1.0630107212
O   -2.4724777087  -0.2767782775  -2.5723472563
N   -2.2022541902   0.6171669389  -0.4847512044
C    1.8457168539  -0.9355087995   0.7688927797
C    0.5982581324  -0.0584271440   0.7087251261
C    3.1483939632  -0.2191857205   0.4307952878
C    0.2830734459   0.4658652387  -0.6863466881
C    4.3627681516  -1.1273990876   0.5897382247
C   -0.9649890100   1.3329269353  -0.7601756962
C    5.6893909860  -0.4883697983   0.1902519693
C    6.0847776294   0.7077140837   1.0444539849
C   -2.8501638564  -0.1599242637  -1.4072729756
C   -4.0049546189  -0.7736299664  -0.7750706737
C   -4.1282198926  -0.4490716819   0.5223979685
H    1.7166638713  -1.7915585747   0.0978054768
H    1.9269120503  -1.3535737869   1.7769911848
H    0.7122954308   0.7867211900   1.3964314739
H   -0.2463766121  -0.6432270429   1.0829216120
H    3.2480602913   0.6608638791   1.0743377047
H    3.1190396136   0.1566750681  -0.5970852968
H    0.1884162088  -0.3672613018  -1.3884159328
H    1.1083843552   1.0819173879  -1.0519308471
H    4.2093383602  -2.0275643430  -0.0140428807
H    4.4251201898  -1.4688603675   1.6290230214
H   -1.0617646450   1.7716577760  -1.7530823115
H   -0.8926276505   2.1686367571  -0.0623783881
H    6.4761151800  -1.2450051474   0.2535135605
H    5.6452262049  -0.1877986579  -0.8611779878
H    7.0677038038   1.0865614735   0.7608112398
H    5.3807332352   1.5349497212   0.9452289734
H    6.1301051746   0.4402661087   2.1023695275
H   -4.6805570720  -1.4226680273  -1.3108940679
H   -4.8922341958  -0.7705613987   1.2148373834
*