! 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   -3.0695379164  -0.9244398976   0.2228140153
O   -1.6698031016   2.2355923608  -1.2729394715
N   -2.0304758747   0.0442852042  -0.6989075426
C    1.6460559784  -0.5240246778   1.7143469979
C    0.6611030975   0.0068334537   0.6755528323
C    2.9505321223  -1.0897437602   1.1583458856
C    0.1605210838  -1.0603844099  -0.2873353510
C    3.7865937388  -0.0784348640   0.3838421763
C   -0.8450825076  -0.5407576662  -1.3035471996
C    5.1437532326  -0.6241120356  -0.0411367789
C    5.9730809445   0.3919597131  -0.8110375686
C   -2.3315911062   1.3814793186  -0.6860200746
C   -3.5329384124   1.5814735112   0.1074824925
C   -4.0084131540   0.4445424979   0.6400785517
H    1.1472213628  -1.2973604021   2.3069743807
H    1.8850052473   0.2831451030   2.4136384075
H    1.1091264176   0.8271620969   0.1064860386
H   -0.1888163638   0.4441851201   1.2079480424
H    2.7493982632  -1.9583434864   0.5228544224
H    3.5429790424  -1.4709965424   1.9962004617
H   -0.2680997210  -1.8971607045   0.2748065843
H    0.9894716811  -1.4819471162  -0.8613591999
H    3.9332324053   0.8162446993   0.9998145179
H    3.2445824044   0.2546636278  -0.5072849774
H   -1.1505255367  -1.3380299508  -1.9833299051
H   -0.3962830543   0.2411627218  -1.9146574169
H    5.6968566376  -0.9512130180   0.8446743707
H    4.9989002355  -1.5188146973  -0.6545938264
H    5.4619782438   0.7135673157  -1.7206251732
H    6.1635715554   1.2837866829  -0.2106791351
H    6.9403202312  -0.0173437932  -1.1058406497
H   -3.9749306555   2.5559445341   0.2478537303
H   -4.8785598434   0.3181556583   1.2676070157
*