! 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
Cl  -0.3498794234  -1.2931601355   1.1361202083
Cl  -4.6925093300  -2.3297754954   0.8791468308
Cl   2.9126263242  -4.7271679146  -1.3815861293
S   -0.3001654248   2.9472543204  -0.0564812888
N    2.3105089192   2.6936581635   1.2253480634
N    0.4608704864   0.6293462048  -1.0281701508
N    3.1264721164   3.2858202343   0.3484212164
N    2.7269452160   4.6368424406   2.0969039400
C    1.7259543200   1.4099200562   0.9494034136
C   -1.6923199580   2.4756148257  -1.1266619685
C    0.6818229162   1.4993853653  -0.1395413715
C   -2.4480894620   1.2819845513  -0.6240182912
C   -2.5799148573   0.1481030419  -1.4166848226
C   -3.0313388828   1.2842048404   0.6389138134
C    1.0877520264  -0.6082397890  -1.0525340323
C   -3.2751188003  -0.9639657267  -0.9674372861
C   -3.7256600510   0.1805461729   1.1070613285
C    2.0736159049   3.5135555267   2.2509374677
C    0.7722550079  -1.6150622555  -0.1359475657
C    1.9783598132  -0.9194295615  -2.0789877488
C   -3.8372739150  -0.9382667652   0.2967836352
C    1.3270920147  -2.8817702401  -0.2304255668
C    2.5505596554  -2.1736863333  -2.1826964675
C    2.2169047022  -3.1486190724  -1.2555790620
C    3.3474683349   4.4401792420   0.9181987318
H    1.2604306862   1.0469085921   1.8662355120
H    2.5119045632   0.7079903264   0.6733147266
H   -1.3301387073   2.3231199624  -2.1417793322
H   -2.3210689795   3.3679200833  -1.1372114423
H   -2.1297661623   0.1234908446  -2.4000593122
H   -2.9408113097   2.1536990933   1.2783148111
H   -3.3628225966  -1.8401249146  -1.5949784493
H   -4.1726988982   0.1962576356   2.0915578846
H    1.4361379786   3.2461667252   3.0789021323
H    2.2225998480  -0.1593403401  -2.8087142814
H    1.0652097786  -3.6441432450   0.4899215346
H    3.2445677805  -2.3846496650  -2.9839930252
H    3.9942975799   5.1749745858   0.4658023382
*