! 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   -1.0201933724   1.3157030529  -1.4347315624
O   -1.6340332398   1.3031735710  -2.7455840144
O   -0.5635661831   2.5715915409  -0.8689020070
O    0.3865643001   0.6880995875   1.6135245776
O   -0.6894558636  -1.5061822650  -2.2292611128
O   -6.2777747298  -2.3812315097   1.2782097002
O    5.5093802200  -2.8964365500   0.1528465051
O    4.1680456794   1.5429961966   0.3390921303
N    0.3418538558   0.3642610786  -1.4538794614
N   -0.8313724373   2.4612292654   2.3261390498
N   -5.1470370644  -1.4831252842  -0.5023567915
N    1.4328523377  -1.6861197887  -1.4903222371
N    3.4660597835  -2.2946895089  -0.6777650170
N    2.7956347338  -0.0336161422  -0.5892711518
C   -2.1150772467   0.5316528242  -0.2827959293
C   -1.8982714682   0.6631676413   1.0869123859
C   -3.1939191949  -0.1670216751  -0.7880201237
C   -4.0915415134  -0.7869115135   0.0799558925
C   -2.8044049973   0.0443323335   1.9345669123
C   -0.6738687878   1.3008997291   1.6782605717
C   -3.8862892121  -0.6754617830   1.4535261070
C   -1.9748807705   3.3306452536   2.1399735518
C    0.3236531819   3.0940675555   2.9304212978
C    0.2920662105  -0.9707214343  -1.7559131724
C    2.6152655483  -1.3071068683  -0.8891167398
C   -6.1241060829  -2.2080253617   0.0844610202
C    4.6084593799  -1.9602222774  -0.0947142477
C    3.9414122575   0.2839729852   0.0047384305
C    4.9156663262  -0.6586463141   0.2833503197
C    5.2268895605  -4.2451654859  -0.2134667428
C    3.1501200205   2.5136665443   0.0985677888
H   -3.3498679394  -0.2390217094  -1.8558689251
H   -2.6698157994   0.1186578496   3.0052730652
H   -4.5558411714  -1.1378098078   2.1591916376
H   -5.1828961561  -1.4645962712  -1.5115191813
H   -1.7003076214   4.2006203923   1.5427590295
H   -2.3393389386   3.6806713796   3.1040925641
H   -2.7904533659   2.8222649677   1.6382284785
H    0.8541024943   3.7262371516   2.2149710765
H   -0.0087474724   3.7225284377   3.7545036339
H    1.0137670526   2.3547670207   3.3242097704
H    1.3651754496  -2.6688889902  -1.7198107074
H   -6.7962140251  -2.6400352874  -0.6667443601
H    5.8480459275  -0.4013629328   0.7636874337
H    5.0914251625  -4.3505510228  -1.2892492252
H    4.3457340625  -4.6272593261   0.3005789111
H    6.0961024876  -4.8192761365   0.0943432812
H    2.9365413858   2.6196008834  -0.9652386943
H    3.5452439778   3.4534368668   0.4741254380
H    2.2369549049   2.2682267481   0.6395452517
H    1.1803977699   0.7016369053  -0.9584194615
*