! 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  -4.2186976715   1.2154716661  -2.8186317591
O    1.7482958194   1.4022393305  -0.5428335034
O    1.8759601739  -1.3478048250   2.5351127587
N    1.6873333973  -0.6412492794   0.3833747994
N    1.7138737036  -2.9238286090   0.9127115251
N    2.3934691187  -4.8689892717   0.1385775920
C    1.8251086974   0.8054680922   0.7289842054
C    1.1179080795  -0.7894750621  -0.9889894693
C    0.7833017740   0.6811293993  -1.2689352943
C    0.6546641484   1.2603682210   1.6170706602
C    3.1776489239   1.1533958862   1.3150409165
C    2.1418286214  -1.2733564954  -2.0093327369
C   -0.1564704265  -1.6193457611  -1.0468759571
C    0.4590685925   2.7763877474   1.6669356700
C    1.7585963865  -1.5645910331   1.3446337188
C   -1.0098082417   3.1591401784   1.8922676943
C   -1.8744679980   2.7144390116   0.7456653588
C    0.7908637243  -3.8502383697   1.3332498914
C    2.6624091969  -3.5967443656   0.2118754784
C   -1.8058921837   3.3666891463  -0.4845447226
C   -2.6982088588   1.5968747401   0.8478567162
C    1.2178157178  -5.0350839493   0.8233731816
C   -2.5248865678   2.9185621685  -1.5813915660
C   -3.4217965684   1.1272557552  -0.2399617592
C   -3.3244652442   1.7935725145  -1.4492432110
H    0.8725678421   0.9299860934  -2.3258661254
H   -0.2363734570   0.9284773822  -0.9464063197
H    0.7989653644   0.8790998095   2.6264583504
H   -0.2568553296   0.7815866673   1.2506056940
H    3.9891202685   0.7688989671   0.6972145554
H    3.2917284712   0.7651705167   2.3233855788
H    3.2808609601   2.2379525508   1.3689508981
H    2.4063047066  -2.3195009928  -1.8758754374
H    3.0550413102  -0.6788271510  -1.9773297544
H    1.7173780384  -1.1806390639  -3.0096300786
H   -0.8430071197  -1.3596464723  -0.2392150062
H   -0.6655590720  -1.4071104746  -1.9887239426
H    0.0253536892  -2.6920372304  -1.0229936456
H    1.0645820816   3.2089853038   2.4661775800
H    0.7948432379   3.2458882793   0.7407811253
H   -1.0768436663   4.2429959960   2.0102964747
H   -1.3714431435   2.7176216359   2.8239348754
H   -0.0761445058  -3.5789310873   1.9109198053
H    3.5465663820  -3.1133129418  -0.1704067285
H   -1.1748782741   4.2403111778  -0.5967758327
H   -2.7761792310   1.0711166348   1.7917897264
H    0.7431328853  -5.9986347912   0.9136798430
H   -2.4568321954   3.4388967807  -2.5271103114
H   -4.0494775320   0.2524611840  -0.1386574049
*