! 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    1.8388249773   0.2757154315   2.2112647340
O    1.7012947977   1.5800458981   2.8174567064
O    2.3282996840  -0.8533120507   2.9590620628
O    1.6415088264   1.5545707040  -1.4053983009
O    0.4995637474  -2.3209313591   1.2884882250
O   -5.2967562759   0.1400426269  -1.2260122662
O   -2.2043496606   3.2379982509   0.3232313167
N    2.7977989592   0.4967112606   0.8935241996
N    0.2834179304  -0.0318954904  -2.2692662884
N    0.3078784770  -0.0688509424   1.6515982646
N   -1.4113739349  -1.2840452180   0.6927309669
N   -3.3561384044  -0.5824687396  -0.2595154641
N   -1.8106769134   1.0003783248   0.5591350211
C    3.0522862325  -0.5814561924   0.0057499184
C    2.4049522393  -0.6679568336  -1.2343154628
C    1.3995842532   0.3659380022  -1.6388777611
C    4.0060605364  -1.5225881599   0.3660845725
C    2.8066674176  -1.6624147530  -2.1238538409
C    4.3548846008  -2.5336632552  -0.5131696100
C    3.7712432861  -2.5905923712  -1.7698060550
C   -0.6263858992   0.9480326159  -2.8310346942
C   -0.1537517491  -1.4058251267  -2.4381204283
C   -0.1341032851  -1.2917423094   1.2140998448
C   -2.2216052726  -0.2332180185   0.3182864041
C   -4.1424676457   0.4139749325  -0.6452266526
C   -2.5964255663   1.9892122507   0.1430390956
C   -3.8105006953   1.7540177206  -0.4772518432
C   -5.6619945936  -1.2225629823  -1.4369523834
C   -0.9160392974   3.4798404997   0.8880137200
H    2.5495260270   1.3552639018   0.4012225614
H    4.5009466386  -1.4414106428   1.3235598217
H    2.3719732677  -1.7124842477  -3.1127714365
H    5.1062512070  -3.2567862067  -0.2269970373
H    4.0682932770  -3.3515563483  -2.4781256632
H   -0.3017195339   0.7359719540   1.4302472959
H   -1.6240835542   0.8376114711  -2.4040085131
H   -0.7131237055   0.7987789760  -3.9086989221
H   -0.2795359210   1.9587869955  -2.6484942529
H    0.3159579842  -2.0789609617  -1.7281035791
H   -1.2308320838  -1.4538717803  -2.2806291504
H    0.0422888004  -1.7707905591  -3.4474273456
H   -4.4527321512   2.5548599463  -0.8126123393
H   -5.7516418047  -1.7660062911  -0.4970231403
H   -4.9504312923  -1.7340659968  -2.0843038776
H   -6.6318672182  -1.1920807732  -1.9253350060
H   -0.1234924122   3.0420216680   0.2791241448
H   -0.8491447416   3.1115826116   1.9117740062
H   -0.7967446861   4.5592758683   0.8963082448
H   -1.7441996372  -2.1978290511   0.4132173900
*