! 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   5.0188945417   3.4325209045  -0.5258955690
O   -2.1237527524  -1.3903617771   1.3416413117
N   -0.6261551463  -2.9390895376  -0.6588093271
N    0.5269788899  -2.7047566618  -1.2922573450
N    0.8167617102  -4.2568283656   0.3002691326
C   -1.9644598643  -0.9415099332   0.0127522259
C   -3.2402456832  -0.1637297671  -0.4448260583
C   -0.7765760751   0.0539953416  -0.1527498667
C   -2.7100319154   1.1736356547  -0.9869484296
C   -1.4236541049   1.4329172448  -0.2184222825
C   -4.3610909211  -0.0182809692   0.6029102607
C   -1.8169423055  -2.1594745755  -0.9151866514
C    0.3249709583  -0.0576469497   0.9045306086
C   -4.0779078762   0.9709091713   1.7300428582
C   -5.6625689698   0.3692818421  -0.0971178795
C    1.5040249398   0.8113049390   0.5680769078
C   -0.4344213003  -3.8595058678   0.2882242906
C    2.4003518794   0.4281843455  -0.4277825081
C    1.7188051479   2.0237129539   1.2154574324
C    3.4805468499   1.2255466467  -0.7709578977
C    2.7946278065   2.8372403307   0.8865956364
C    1.3566264734  -3.5141360729  -0.6830271432
C    3.6680293911   2.4284540275  -0.1071155606
H   -3.6934698366  -0.7238981217  -1.2697845236
H   -0.3213141116  -0.1403827552  -1.1297606116
H   -3.4342109060   1.9854962823  -0.9007693281
H   -2.4801959495   1.0774722180  -2.0512142216
H   -0.7825535609   2.1714267832  -0.7017451222
H   -1.6366633539   1.8015838774   0.7887213943
H   -4.5256914338  -1.0021587394   1.0513663513
H   -1.7843318911  -1.8457269999  -1.9571330811
H   -2.6779872592  -2.8181402706  -0.7961580580
H    0.6785038721  -1.0898416400   0.9979027594
H   -0.0672025787   0.2324252466   1.8820341516
H   -1.2768564090  -1.6914369104   1.6870995163
H   -3.9980269818   1.9952669012   1.3594405448
H   -4.8984925266   0.9607944550   2.4504940088
H   -3.1646711689   0.7404154683   2.2760607511
H   -5.5906812356   1.3480218057  -0.5772119258
H   -6.4878815267   0.4204360965   0.6153197314
H   -5.9371799194  -0.3553875931  -0.8659347967
H   -1.2275948076  -4.2297629736   0.9187614426
H    2.2562565270  -0.5120637750  -0.9471171159
H    1.0394366010   2.3456428154   1.9952285118
H    4.1678758345   0.9093550085  -1.5438684254
H    2.9458711087   3.7751361422   1.4035466105
H    2.3949327216  -3.5771196978  -0.9691415755
*