! 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   -2.2187243317   0.4696067098   1.1206673253
O   -1.5178777333   0.4241861775  -2.5815013658
N   -1.9847870867  -0.1960286080  -0.4228797584
C    1.9362652679  -2.0417516302   0.4249904880
C    0.7249315840  -1.5041831983  -0.3277184526
C    3.2729268869  -1.4893250521  -0.0648451569
C   -0.5694336643  -2.1603073993   0.1306842230
C    3.3946611692   0.0326771117  -0.0503307296
C   -1.8146887095  -1.6320707039  -0.5668439668
C    3.1747770825   0.6695578340   1.3165100476
C    3.3977250676   2.1746166531   1.2997970708
C   -1.7540206364   0.7242049063  -1.4133878473
C   -1.8471366685   2.0583965786  -0.8422818569
C   -2.0790521086   2.0514445017   0.4795043370
H    1.9582802453  -3.1322072063   0.3354668048
H    1.8139653687  -1.8347532225   1.4927555314
H    0.8548231529  -1.6603301241  -1.4040378997
H    0.6577540248  -0.4214857585  -0.1818281893
H    3.4517227002  -1.8459503127  -1.0837279495
H    4.0725237272  -1.9159906900   0.5486153906
H   -0.6765869837  -2.0486000712   1.2145492593
H   -0.5284115762  -3.2363237570  -0.0569606975
H    2.6949105790   0.4707788911  -0.7692905571
H    4.3927084163   0.3025003855  -0.4096322973
H   -2.7056667768  -2.1348872953  -0.1878495315
H   -1.7697791984  -1.8305325672  -1.6366798185
H    2.1593901053   0.4642884311   1.6673804936
H    3.8468085844   0.2066497395   2.0458194917
H    3.2363086389   2.6154204922   2.2843125271
H    4.4150420732   2.4220857924   0.9909037345
H    2.7151418267   2.6669278259   0.6044271342
H   -1.7277845616   2.9501346320  -1.4380647503
H   -2.1873327760   2.9021144268   1.1358410698
*