! 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   1.1258586289   2.1980624158   0.8925856232
S    1.7365906206   0.3516163600  -1.6951567046
O    1.3453733461   1.6572065521  -2.1859518275
O    2.2727754456  -0.6215157998  -2.6233899804
O    1.3262894578  -2.1402315898  -0.1787900276
O   -5.2887773950  -1.7244545663   1.2926960098
N    0.3602461470  -0.2507159122  -0.9857696685
N   -0.8681957462  -1.8017106889   0.2297314889
N   -2.1832308050   0.0109462146  -0.4002449497
N   -3.0700511574  -1.8095944467   0.7950367392
N   -4.4605229819  -0.0148057359   0.1478757412
C    2.8795945514   0.5220587626  -0.3549137881
C    2.6187928086   1.3517324998   0.7333548383
C    4.0832922016  -0.1652085282  -0.4347698214
C    3.5633657256   1.4913566015   1.7354941827
C    5.0295919217  -0.0167458321   0.5643901367
C    0.3472115984  -1.4387178751  -0.3123230532
C    4.7680312710   0.8110151134   1.6446222595
C   -2.0784405144  -1.1635395861   0.1977581289
C   -3.4051164732   0.5513678031  -0.4004663789
C   -4.2300232581  -1.1877693579   0.7365537506
C   -3.5536093444   1.8751791520  -1.0542612702
C   -5.1586365577  -2.9669583431   1.9857818136
H   -0.5127689652   0.3000463900  -1.0127404965
H    4.2867374835  -0.8150172082  -1.2730639714
H    3.3594492166   2.1299191783   2.5833946183
H    5.9660228636  -0.5514690392   0.4971583482
H    5.5016413412   0.9302658382   2.4296253176
H   -4.5970963595   2.1632903326  -1.1365645292
H   -3.0300289344   2.6325380504  -0.4685652575
H   -3.1006942011   1.8670586972  -2.0448072450
H   -6.1530707581  -3.1999799423   2.3539779778
H   -4.4733372822  -2.8814482941   2.8275026611
H   -4.8242756643  -3.7618864326   1.3213784244
H   -0.8574255105  -2.6900361364   0.7150037992
*