! 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   1.7135934176   2.4213358577   0.7302439709
Cl   5.4597024967  -1.1683826034  -0.4707814927
O   -1.1682663201  -0.9674776006  -0.0147864739
O   -0.7325614916   0.8248506004   1.2208049453
N   -2.2228214499   1.4224301835  -1.1182052804
N   -2.6664950283   2.5181366413  -0.4971750512
N   -4.3865818933   1.2975285608  -1.2659697906
C   -0.4109152761   0.2033831209   0.0181710143
C   -1.4040370823  -1.4057071318   1.3245274646
C   -0.9137832842  -0.2140795352   2.1640408853
C   -2.8672402864  -1.7452327962   1.5388523364
C   -0.8285802472   1.0776484150  -1.1651901277
C    1.0819174067  -0.1148545845  -0.0815905995
C   -3.3514156551  -3.0337720290   0.8802911236
C    2.0819306177   0.8088148397   0.2192522304
C    1.4882483465  -1.3699494870  -0.5252204006
C   -3.4042568812  -3.0272430343  -0.6413905856
C    3.4275695172   0.4933206555   0.1056520610
C    2.8240282775  -1.7119589545  -0.6507570499
C   -3.2559339481   0.7033173981  -1.5569958848
C    3.7851169558  -0.7711634166  -0.3275134329
C   -3.9620218542   2.3988817350  -0.6165942004
H   -0.7914615156  -2.2903709319   1.5304028170
H   -1.6419780647   0.1168696626   2.9045835502
H    0.0214673950  -0.4475644715   2.6818449884
H   -3.4847366701  -0.8949531389   1.2297317800
H   -3.0076830368  -1.8495561163   2.6181845166
H   -0.6334032124   0.5363621154  -2.0896485501
H   -0.2478955361   1.9960163379  -1.1980789868
H   -4.3535807454  -3.2445321818   1.2619742743
H   -2.7234014201  -3.8628102115   1.2211115187
H    0.7420428039  -2.1078312279  -0.7834661267
H   -3.8555665978  -3.9495597367  -1.0115336507
H   -4.0103702797  -2.1980105175  -1.0120495273
H   -2.4169037525  -2.9475579100  -1.0935275100
H    4.1820862035   1.2274697856   0.3516428924
H    3.1031788264  -2.6977128279  -0.9954657168
H   -3.1378226438  -0.2187586946  -2.1022753726
H   -4.6343835272   3.1447862856  -0.2226766230
*
