! 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   6.1500555357   0.7486585139  -0.2558529883
O   -2.3259666127  -0.8140780799  -1.3631988989
N   -2.7922029957   1.5791738106   0.2619216037
N   -2.9702006336   1.8636977903  -1.0334943907
N   -2.5858951645   3.7396700689   0.1223287470
C   -1.9420617571  -0.7886289758  -0.0069000336
C   -2.2008758270  -2.1714751619   0.6900962626
C   -0.4202610997  -0.5706531885   0.1643322896
C   -0.9023983576  -2.5193239147   1.4404156965
C   -0.1119572590  -1.2179390653   1.5066195421
C   -2.7494345584  -3.2938795822  -0.2031850294
C   -2.8232733386   0.2184375255   0.7592805559
C    0.1322514627   0.8459924066  -0.0075750888
C   -1.7706239514  -3.8303775404  -1.2445487385
C   -3.2448768747  -4.4430668176   0.6725788174
C    1.6344013581   0.8457015219  -0.0709780950
C   -2.5632924298   2.7053123312   0.9315359112
C    2.2958609322   0.5186172434  -1.2524356135
C    2.4028473381   1.1396714100   1.0515434443
C    3.6803235698   0.4856590022  -1.3196895687
C    3.7895069015   1.1112031486   1.0064164573
C   -2.8312764301   3.1667078688  -1.0665788654
C    4.4171587747   0.7830291824  -0.1837774266
H   -2.9770744201  -2.0037244663   1.4453227370
H    0.0393563593  -1.1980135070  -0.6110403668
H   -0.3184902157  -3.2583658996   0.8870734376
H   -1.0995699553  -2.9471155235   2.4233978020
H   -0.4603030233  -0.5824873358   2.3275242998
H    0.9547287238  -1.3810364873   1.6632586720
H   -3.6175706357  -2.8913542612  -0.7336904264
H   -2.5374043363   0.2628371951   1.8093027998
H   -3.8565761555  -0.1333026031   0.7236876583
H   -0.1796907116   1.4788744894   0.8256346793
H   -0.2605481212   1.2942343253  -0.9241288799
H   -2.4803558161   0.0967974513  -1.6591274014
H   -1.3450355215  -3.0459091599  -1.8674493383
H   -0.9445546495  -4.3761926445  -0.7847820497
H   -2.2799702724  -4.5323327617  -1.9080312900
H   -3.9919223337  -4.1068216355   1.3942773912
H   -2.4267507309  -4.9006880219   1.2336233242
H   -3.7017363268  -5.2288303422   0.0685307385
H   -2.3894409998   2.7268422595   1.9955697579
H    1.7245917855   0.2896317951  -2.1441170607
H    1.9160783543   1.4003059737   1.9834760736
H    4.1752276782   0.2351866763  -2.2481129285
H    4.3679045135   1.3454672542   1.8897408977
H   -2.9168606694   3.7199862827  -1.9882352728
*