! 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   -1.8981137474   1.1815408888   0.3368385752
O    4.9859173373  -0.4799560754  -1.0497908835
O   -2.1776306943   1.2700662014  -1.0829997404
O   -2.2695181263   2.2660014756   1.2221677226
O    2.1018110136   2.2720680710   1.1578906437
O   -0.0143678359  -0.7553417328  -0.8279723600
O   -4.8501444631   0.9853794110  -0.2167376860
O   -4.8767767539  -0.7147800417  -1.6758246144
N    3.8399484181   1.1013994251   0.1517343859
N    1.8499476104   0.3221430669  -0.1108382123
N   -0.2472459758   1.0322627974   0.5534020467
N    2.6788011373  -0.5404416503  -0.7929066055
C   -2.5280813404  -0.3628998605   0.9437757724
C    3.8458020692  -0.0360280738  -0.6067679683
C   -3.6708139776  -0.9180884745   0.3683146625
C    2.5461930943   1.3571403879   0.4889438467
C    0.4802014196   0.1341985690  -0.1842224623
C    4.9703201019  -1.7029083636  -1.8174391524
C   -1.8533702539  -1.0119393892   1.9646962575
C    6.3883306164  -2.0180016694  -2.2237853457
C    4.9902335239   1.8942368149   0.5297799043
C   -4.0939071994  -2.1680714219   0.7975728482
C   -2.3099517425  -2.2450081041   2.4054697160
C   -3.4185250218  -2.8277285990   1.8135910177
C   -4.5106260484  -0.2146192980  -0.6428129182
C    7.3306208518  -2.2549760757  -1.0538165141
C   -5.5941670747   1.8203168816  -1.1088439520
H    0.2202066493   1.7789522264   1.0720326606
H    4.3321145677  -1.5655546675  -2.6921398680
H    4.5484377767  -2.5004762299  -1.2013700581
H   -0.9657895475  -0.5846268409   2.4105805860
H    6.3336254106  -2.9161421819  -2.8429573074
H    6.7701469221  -1.2245083833  -2.8704956875
H    5.4963709727   2.2752069487  -0.3533777238
H    4.6492488158   2.7349287812   1.1253655311
H    5.6823074097   1.3032945507   1.1240976743
H   -4.9716238019  -2.6180135887   0.3536340943
H   -1.7853296804  -2.7514039122   3.2031715088
H   -3.7653511565  -3.7966780348   2.1442841115
H    7.4624992808  -1.3603483378  -0.4451713466
H    6.9628579273  -3.0500801679  -0.4028947898
H    8.3168199857  -2.5521164630  -1.4100426223
H   -5.0534576976   1.9832395398  -2.0402257359
H   -5.7191024238   2.7672330873  -0.5934472591
H   -6.5723101012   1.3923531598  -1.3230807103
*