! 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  -5.4502268045   4.3496777094   1.3554635023
O    1.7049859865   1.1753248045   0.9533275084
O    0.5220422822  -2.7591404970   0.4746459166
N    1.9078490270  -0.9750191884   0.2606875386
N    2.4928066948  -3.0778580681  -0.6053149278
N    3.2551859955  -4.3970432596  -2.1928389259
C    1.0433657678  -0.0673360711   1.0639127835
C    3.0853462200  -0.2471090130  -0.2752080717
C    2.5365944689   1.1740051753  -0.1830849751
C   -0.3924767541   0.0444730164   0.5362600181
C    1.0431229678  -0.4559172309   2.5346003705
C    4.3049641638  -0.3972648964   0.6297924448
C    3.4360271892  -0.5541521260  -1.7240797243
C   -0.5540079378   0.3280762697  -0.9512012249
C    1.5581085767  -2.2511227296   0.0935792270
C   -2.0159487079   0.2408890698  -1.4010250807
C   -2.8979520598   1.2535049895  -0.7270364291
C    3.6422234582  -3.6455438350  -0.1135234288
C    2.3014698584  -3.5775254170  -1.8519922475
C   -3.7383874119   0.8985100988   0.3239550885
C   -2.8665059120   2.5902908542  -1.1197021311
C    4.0946796541  -4.4512717267  -1.1122018342
C   -4.5254873618   1.8410619766   0.9710502660
C   -3.6452342312   3.5473826986  -0.4879102041
C   -4.4701271272   3.1614572301   0.5575675736
H    3.3311115429   1.9066151177  -0.0403453530
H    1.9886137306   1.4429903155  -1.0925551238
H   -0.8578915694   0.8462893143   1.1159997032
H   -0.9375237907  -0.8632815207   0.7936283360
H    0.5480843725  -1.4102820565   2.6977590529
H    0.5058751779   0.2961882366   3.1129913253
H    2.0593062211  -0.5232055007   2.9229303474
H    4.0888450976  -0.1046455699   1.6573715004
H    5.1087715990   0.2418944559   0.2633625429
H    4.6831193722  -1.4171922045   0.6400723564
H    4.0398092389  -1.4519246303  -1.8393639469
H    2.5475584343  -0.6365909313  -2.3504508055
H    4.0319249731   0.2739248894  -2.1111219692
H   -0.1691240149   1.3201999106  -1.1987821064
H    0.0205054010  -0.3861923340  -1.5473041140
H   -2.3932854584  -0.7656136673  -1.2053745717
H   -2.0556572842   0.3846192856  -2.4830169486
H    4.0007221868  -3.4629447554   0.8848538592
H    1.4566258548  -3.2965956148  -2.4616680233
H   -3.7865685447  -0.1337301607   0.6486470300
H   -2.2255321035   2.8958045631  -1.9382107872
H    4.9757116533  -5.0724405790  -1.1039113818
H   -5.1724677666   1.5440075877   1.7852563442
H   -3.6095803589   4.5791508382  -0.8103115430
*