! 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   3.9109196899   3.7155076513   1.1955165155
O   -0.6703340458  -0.5072919471   1.0973122768
N   -1.4018342052  -2.9397945308  -0.3883322478
N   -0.3284085995  -3.2772522402   0.3362119011
N   -0.3383919454  -4.3967969137  -1.6035055603
C   -1.6650962998  -0.5161232062   0.0959939175
C   -2.7226319768   0.5503811433   0.5283820740
C   -1.0818593758  -0.1901091266  -1.3072625199
C   -2.3200062302  -1.9146376220   0.0579332996
C   -3.3748250031   0.1797821408   1.8663078645
C   -2.0432065209   1.9130922015   0.7121522554
C   -3.8297651948   0.6942473717  -0.5200242318
C    0.4240177028  -0.4005742505  -1.4985516368
C    1.2923221866   0.6208885064  -0.8133401092
C   -1.3860531613  -3.6064569783  -1.5400253398
C    2.2393900933   0.2516182613   0.1359700618
C    1.1859560556   1.9714102335  -1.1369801201
C    0.2752320099  -4.1491804112  -0.4346131803
C    3.0504741106   1.1909140684   0.7560771213
C    1.9819616750   2.9285292725  -0.5269282373
C    2.9092520300   2.5274305770   0.4214518487
H   -1.3009656705   0.8433361511  -1.5764419842
H   -1.6036826730  -0.7814950099  -2.0644466876
H   -2.6828943239  -2.2035606545   1.0429110291
H   -3.1647852854  -1.9369849961  -0.6268253997
H   -4.0369655098   0.9869312889   2.1848539508
H   -2.6379141995   0.0336761380   2.6558798149
H   -3.9898227979  -0.7192893280   1.8067201477
H   -2.7877372020   2.6528127516   1.0130316095
H   -1.5773469817   2.2847846634  -0.2009503499
H   -1.2750219956   1.8871258244   1.4835974772
H   -4.4150261902  -0.2184931535  -0.6443584740
H   -4.5286069197   1.4734485372  -0.2098220097
H   -3.4499548636   0.9806515969  -1.5014272728
H    0.6136295492  -0.3422442256  -2.5737637569
H    0.7403773043  -1.4035909705  -1.2055823014
H   -0.1500019005  -1.3197473355   1.0365269759
H   -2.1556813151  -3.5027277846  -2.2882353504
H    2.3543822395  -0.7918776523   0.4041154031
H    0.4705568780   2.2941637300  -1.8842732698
H    1.1920745903  -4.6304016733  -0.1331695393
H    3.7785411934   0.8810133422   1.4934780386
H    1.8801242109   3.9721149229  -0.7926479701
*