! 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   -1.1739403564   1.2835198363  -1.5478615815
O   -1.8213881490   1.2427348697  -2.8423462859
O   -0.8006202827   2.5681722277  -0.9837379748
O    0.4437179965  -0.4525284837   1.3039135414
O   -0.6808024401  -1.5478767387  -2.1594025176
O   -6.5726091098  -2.0725625955   1.3108418227
O    5.2819063458  -2.3711734573   0.8762719162
O    3.9557260265   2.0131814247   0.1347174074
N    0.2539971268   0.4434704582  -1.6040769875
N   -0.1294156822   1.5963420209   2.0888623383
N   -5.5393429140  -1.0295308117  -0.4499283945
N    1.4773492462  -1.5240746838  -1.4887350067
N    3.3751277072  -1.9497494114  -0.3123477276
N    2.7245223458   0.2820911773  -0.7176324151
C   -2.1833863727   0.4031258184  -0.3826735412
C   -1.7679975808   0.2161823748   0.9341548413
C   -3.4273830992  -0.0118218512  -0.8174883992
C   -4.3086157766  -0.6331485050   0.0658111575
C   -2.6588761840  -0.4030344974   1.7985537804
C   -0.3728725687   0.4539726969   1.4424096924
C   -3.9150797422  -0.8185759073   1.3893246542
C   -1.0806228932   2.6778655998   2.2281302951
C    1.1765887642   1.8617933522   2.6570217733
C    0.2814609439  -0.9168890345  -1.7731887831
C    2.5681287436  -1.0283440367  -0.8016968240
C   -6.5476051413  -1.6946088905   0.1553360813
C    4.4254234511  -1.5044372284   0.3629220086
C    3.7660401852   0.7120289342  -0.0140128531
C    4.6754409197  -0.1533464651   0.5691472507
C    5.0542270793  -3.7660759115   0.6853592395
C    3.0982928004   2.9251670098  -0.5449599244
H   -3.7246874144   0.1380259268  -1.8468264028
H   -2.3697067032  -0.5696150202   2.8280236164
H   -4.5656472323  -1.2889627230   2.1073456452
H   -5.6995791379  -0.8122048752  -1.4233177791
H   -1.2960301068   2.8566015485   3.2819210149
H   -2.0167327610   2.4629850315   1.7246172922
H   -0.6702635967   3.5942938768   1.8051680133
H    1.0906672529   2.0271610245   3.7316960440
H    1.8509624818   1.0288873283   2.4900104270
H    1.6052605210   2.7623941518   2.2150195980
H    1.4529385094  -2.5317624498  -1.5720289848
H   -7.3747112632  -1.8722987086  -0.5424825381
H    5.5281763693   0.1981556975   1.1309239244
H    4.1146990767  -4.0864220523   1.1340310300
H    5.8779315450  -4.2674443580   1.1854880138
H    5.0602605615  -4.0347017428  -0.3703749000
H    3.4599563960   3.9164016871  -0.2874928427
H    2.0614133476   2.8402500856  -0.2194262905
H    3.1492238774   2.7962319265  -1.6258598620
H    1.1036548951   0.8845609328  -1.2196448792
*