! 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   -1.0065789632   1.3127850269  -1.4052160245
O   -1.6111776982   1.3061512191  -2.7205635484
O   -0.5462740899   2.5654859272  -0.8353119873
O    0.3552442598   0.7350866226   1.6840291370
O   -0.6809463463  -1.5042345195  -2.2246525529
O   -6.2662267958  -2.4041998941   1.2742003948
O    5.5394982799  -2.9201716875   0.0812599352
O    4.1827588622   1.5085793825   0.3739384677
N    0.3492441452   0.3529762917  -1.4161311661
N   -0.8879920852   2.5167956143   2.3285758329
N   -5.1306573073  -1.5002226612  -0.5003402622
N    1.4532423868  -1.6877926984  -1.5205512507
N    3.4926497353  -2.3067086781  -0.7312059763
N    2.8095864536  -0.0526014318  -0.5795114434
C   -2.1137664761   0.5349738842  -0.2615725094
C   -1.9174513958   0.6836000472   1.1092526076
C   -3.1809459456  -0.1765366512  -0.7739425756
C   -4.0862061608  -0.7929392761   0.0884666162
C   -2.8308284532   0.0676715851   1.9513220285
C   -0.7094024358   1.3431348415   1.7102054940
C   -3.9005896488  -0.6653113221   1.4634683086
C   -2.0296425020   3.3763983294   2.0887672063
C    0.2561358784   3.1761422651   2.9257201839
C    0.3037131342  -0.9739279114  -1.7522091424
C    2.6359758612  -1.3189223825  -0.9135497705
C   -6.1057958451  -2.2320113576   0.0810952720
C    4.6355651468  -1.9813635867  -0.1440645386
C    3.9595969409   0.2569790814   0.0112990172
C    4.9401433708  -0.6872721341   0.2605351321
C    5.2505917965  -4.2651569799  -0.2942576257
C    3.1572901704   2.4795867927   0.1677325991
H   -3.3224472165  -0.2605413321  -1.8429490007
H   -2.7124067010   0.1550705729   3.0229982932
H   -4.5767050954  -1.1240660537   2.1651164490
H   -5.1572069571  -1.4871639875  -1.5099185478
H   -1.7522501850   4.2136576434   1.4474575173
H   -2.3984892886   3.7770235164   3.0313357974
H   -2.8436989300   2.8416863846   1.6121153157
H    0.9370037521   2.4562244593   3.3685770962
H    0.8017943671   3.7738686303   2.1924657011
H   -0.0917896367   3.8417494949   3.7131658623
H    1.3861884010  -2.6662420631  -1.7679364352
H   -6.7649477059  -2.6765822320  -0.6740846582
H    5.8736497673  -0.4370975190   0.7425777736
H    4.3696162442  -4.6473514900   0.2201238794
H    6.1185319388  -4.8450355206   0.0065215056
H    5.1111720184  -4.3622644822  -1.3703063876
H    3.5583183729   3.4156115877   0.5463456158
H    2.2570819916   2.2242825863   0.7256634263
H    2.9204733306   2.5987093872  -0.8896873547
H    1.1926591483   0.6870144972  -0.9261853662
*