! 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   0.7666954464   2.1499014590   1.0441536917
Cl   4.7983255100  -0.6066951000  -1.0462876720
O   -1.6240147250  -1.5786248660   0.2173099770
O   -1.4944451678   0.3591062420   1.2839016352
N   -1.5207816838   1.7388651932  -1.2973130245
N   -0.4955009450   2.0888424855  -2.0792410344
N   -1.4134828535   3.9016914852  -1.1263911813
C   -1.1353669836  -0.2741505472   0.0977297280
C   -1.5437103835  -1.9496623240   1.5960385175
C   -1.3079645146  -0.6046418039   2.3061792663
C   -2.8241321232  -2.6473117804   2.0094038138
C   -1.8849302272   0.3666733238  -1.0734588336
C    0.3788224372  -0.3024022280  -0.1301196076
C   -3.1394730089  -3.9179852666   1.2263387908
C    1.2682336686   0.7051920466   0.2374391749
C    0.9110495270  -1.4022956556  -0.8008831189
C   -2.0953038934  -5.0148488004   1.3845136390
C    2.6266050024   0.6135727034  -0.0361602030
C    2.2580546350  -1.5158586782  -1.0934314876
C   -2.0456884837   2.8260775738  -0.7299913760
C    3.1087456032  -0.4977875548  -0.7012369145
C   -0.4714466277   3.3881987889  -1.9390574456
H   -0.6825487941  -2.6087170979   1.7459909359
H   -2.0285314324  -0.4090048032   3.1004349278
H   -0.3013986224  -0.5429369021   2.7304534760
H   -3.6548103473  -1.9401894881   1.9221062112
H   -2.7351159939  -2.8900983214   3.0726069038
H   -2.9545220790   0.3249167954  -0.8675165334
H   -1.6966289650  -0.1957455685  -1.9862174409
H   -3.2688114590  -3.6806029577   0.1676267286
H   -4.1068464923  -4.2941367207   1.5672961929
H    0.2538391580  -2.2033728230  -1.1086363411
H   -1.9204372750  -5.2459100529   2.4371918064
H   -2.4185480432  -5.9348025696   0.8964423812
H   -1.1354188964  -4.7397495324   0.9450060026
H    3.2953590225   1.4071720562   0.2661266884
H    2.6307012270  -2.3857403329  -1.6153687931
H   -2.8903480311   2.7878282517  -0.0611184589
H    0.2531626279   3.9956284960  -2.4579869738
*