! 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   -3.4156782858  -0.5173243454   0.7963472542
O   -2.5434879816   1.4794120221  -2.2749568585
N   -2.5256011696  -0.0470201909  -0.5672588746
C    2.3255658885  -0.0727558333   0.7318583220
C    1.2391631508  -0.5921785230  -0.2004381389
C    3.7004380460  -0.6574665051   0.4323094804
C   -0.1285170703   0.0127292106   0.0864587817
C    4.7732840609  -0.1636594689   1.3956535224
C   -1.2028085211  -0.5977867202  -0.8008994452
C    6.1565577861  -0.7652281715   1.1651580334
C    6.7690431941  -0.4188985469  -0.1849157257
C   -3.0780341284   0.9814937186  -1.2861410908
C   -4.3510786607   1.3407345221  -0.6835529930
C   -4.6317413208   0.6290894898   0.4195826824
H    2.0509504891  -0.3008356377   1.7672732586
H    2.3739985729   1.0192173566   0.6641275292
H    1.1800030919  -1.6821036892  -0.1125250571
H    1.5179444101  -0.3847761086  -1.2387429592
H    3.9746293512  -0.4100637931  -0.5978452587
H    3.6482334209  -1.7510005736   0.4786420465
H   -0.1000828915   1.0946480252  -0.0700515708
H   -0.3873642595  -0.1470608438   1.1379694630
H    4.4574187279  -0.3901495045   2.4189732407
H    4.8398360014   0.9282272199   1.3354386340
H   -1.2475897539  -1.6794805536  -0.6603921835
H   -0.9739571944  -0.4312741895  -1.8532222227
H    6.8255780090  -0.4178586935   1.9569897280
H    6.1016223236  -1.8528364512   1.2729670514
H    7.7804024566  -0.8183661464  -0.2721452859
H    6.1909762608  -0.8248821833  -1.0160005768
H    6.8312985841   0.6623327990  -0.3253032093
H   -4.9857480154   2.1114430681  -1.0935777400
H   -5.5047315095   0.7028227402   1.0512014391
*