! 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  -5.3165015511  -0.9200642307   0.0591491194
O    3.1089156815   1.5753833724   0.6201795108
O    2.2860423001  -1.9816916367  -1.8863268961
N    2.5832930830  -0.4385323867  -0.2477523965
N    0.6057007669  -1.6969267514  -0.3900329094
N   -0.9330323283  -2.6178444191   0.8869619774
C    2.0566535660   0.6391260532   0.6563525493
C    4.0030858907  -0.1777592957  -0.5883552403
C    4.3153730795   0.8608967311   0.4835533049
C    0.8152558661   1.3145840350   0.0831545076
C    1.8523150056   0.1552236633   2.0905792318
C    4.8889313555  -1.4015485590  -0.4195386909
C    4.1567952669   0.4409786281  -1.9763236207
C    0.3647720534   2.5507144881   0.8530435267
C    1.8946481661  -1.3724404753  -0.9102514941
C   -0.8969016169   3.1656807242   0.2382068344
C   -2.0424572789   2.1935286278   0.1819572130
C   -0.5739257506  -1.6265597251  -1.0934238897
C    0.3296356258  -2.3150694262   0.7883445710
C   -2.4870391453   1.6696199754  -1.0276287861
C   -2.6494067917   1.7456960164   1.3539235899
C   -1.5091401623  -2.1747340805  -0.2749459550
C   -3.5009644226   0.7235908413  -1.0779307619
C   -3.6591341032   0.7971110367   1.3265371472
C   -4.0741133788   0.2920310913   0.1045233961
H    4.6161413083   0.3869185220   1.4268082581
H    5.1039334083   1.5493718582   0.1809027135
H   -0.0097527524   0.6035632556   0.0793382963
H    1.0085917022   1.5801984167  -0.9611252913
H    1.8647311556   1.0101437715   2.7665174535
H    2.6373427894  -0.5305558867   2.4091092017
H    0.8938109811  -0.3420734661   2.2235311847
H    4.7118596043  -1.8934675822   0.5378566151
H    5.9337369335  -1.0866698127  -0.4399374740
H    4.7541236414  -2.1307546564  -1.2151876960
H    5.2012249175   0.7119595319  -2.1368066195
H    3.8704241139  -0.2488702821  -2.7662899777
H    3.5585119647   1.3472061067  -2.0782793748
H    0.1600268666   2.2925549610   1.8951923663
H    1.1491699458   3.3092173850   0.8666621632
H   -0.6726064243   3.5260986006  -0.7684121741
H   -1.1795592543   4.0412311670   0.8275675178
H   -0.6386384004  -1.1680252907  -2.0653932816
H    1.0968326121  -2.5593206453   1.5054281757
H   -2.0306934660   1.9959544584  -1.9541870914
H   -2.3272810327   2.1359559899   2.3121434015
H   -2.5661130982  -2.2745773499  -0.4587787419
H   -3.8262365765   0.3234448569  -2.0285620140
H   -4.1139625003   0.4583312531   2.2474202507
*