! 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   -2.5730487315   0.3795183768   1.1324589908
O   -2.9573068405  -0.0483581228  -2.5863179022
N   -2.4512038179  -0.3731306126  -0.3795536812
C    2.0603954868  -0.7922097529  -0.2575896429
C    0.5869234173  -0.8286542325   0.1278163000
C    2.9345860404  -0.1454305191   0.8088111463
C   -0.2844925916  -1.4820326931  -0.9359799375
C    4.4104286057  -0.0986111381   0.4363089228
C   -1.7461550206  -1.6354586645  -0.5440347534
C    5.2784163966   0.5472326537   1.5089034529
C    6.7516073244   0.5925549364   1.1334791969
C   -2.9807426087   0.3426237668  -1.4201030668
C   -3.5464229379   1.5755212454  -0.9004516670
C   -3.3908908286   1.7068935724   0.4271247787
H    2.1751817100  -0.2497190274  -1.2020252115
H    2.4119256506  -1.8118913087  -0.4477200589
H    0.2472752437   0.1936242156   0.3195767918
H    0.4741882662  -1.3718138089   1.0726347358
H    2.8166083598  -0.6903652230   1.7517225516
H    2.5772261354   0.8720955782   1.0009089805
H    0.0919910426  -2.4872472876  -1.1462608253
H   -0.2164173608  -0.9259592516  -1.8748679962
H    4.5311396992   0.4482886127  -0.5052067975
H    4.7699926069  -1.1153889485   0.2437201988
H   -1.8367651005  -2.1991016392   0.3858977178
H   -2.2833689827  -2.2060101932  -1.3011667921
H    4.9192112772   1.5627827080   1.7015577530
H    5.1578445096   0.0004651060   2.4490978415
H    7.3510949613   1.0586079465   1.9166744967
H    7.1502847989  -0.4103036939   0.9686006554
H    6.9100758437   1.1628092143   0.2161373024
H   -4.0349045732   2.2994426263  -1.5346188217
H   -3.7161147692   2.5239895622   1.0540827783
*