! 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   5.3378966336   3.1723150278  -0.5278269130
O   -1.8177165561  -1.2602728535   1.3906177492
N   -0.8306357392  -2.7952344719  -0.7961757010
N    0.2838428221  -2.6548989903  -1.5232223701
N    0.5678831805  -4.2393842847   0.0380055844
C   -1.9183322852  -0.7439877204   0.0811891502
C   -3.1673141431   0.1771699133  -0.1094304423
C   -0.6745639473   0.1640426053  -0.1929755650
C   -2.6021066828   1.5914638873   0.0154189313
C   -1.2627252606   1.4874832280  -0.6911069962
C   -4.3768588338  -0.1031043824   0.7930004268
C   -1.9579781922  -1.9023669475  -0.9319964200
C    0.2421414305   0.3574377700   1.0251451648
C   -5.4387491217   0.9798533039   0.6117400341
C   -5.0202278379  -1.4656674860   0.5328908460
C    1.5122333613   1.0691362580   0.6509774660
C   -0.6384571991  -3.7327007656   0.1312888144
C    1.7498557551   2.3871012712   1.0278798310
C    2.4889856946   0.4162316885  -0.1003732512
C    2.9210785219   3.0427937416   0.6716203577
C    3.6640654584   1.0518794619  -0.4673647090
C    1.0859745434  -3.5379093337  -0.9860839550
C    3.8694802834   2.3666597577  -0.0763083173
H   -3.5055033086   0.0558815882  -1.1482404306
H   -0.0634289652  -0.2845805580  -0.9783952748
H   -2.4666856297   1.8574360505   1.0693709793
H   -3.2510856017   2.3468696096  -0.4276761319
H   -1.4257254010   1.4433378075  -1.7712295379
H   -0.6044879726   2.3382496525  -0.5081106144
H   -4.0506217317  -0.0625628297   1.8384515970
H   -1.9553970004  -1.5150860872  -1.9493109237
H   -2.8683151345  -2.4922210368  -0.8202309179
H    0.5054035143  -0.6128331059   1.4496934366
H   -0.2713836773   0.9160386062   1.8114701923
H   -2.6293883351  -1.7275299142   1.6151632540
H   -6.3175736469   0.7613492857   1.2206772889
H   -5.0795486969   1.9654698837   0.9065081356
H   -5.7663449228   1.0405633359  -0.4289694991
H   -5.8998597285  -1.5992528510   1.1642755585
H   -4.3680502284  -2.3173161337   0.7373193020
H   -5.3453083441  -1.5516234397  -0.5066363581
H   -1.4013481236  -4.0358103212   0.8297537255
H    1.0134364833   2.9197241904   1.6170666333
H    2.3351734903  -0.6127644923  -0.4062493021
H    3.0865246427   4.0668494642   0.9778294302
H    4.4104220615   0.5262660269  -1.0473906502
H    2.0869203530  -3.6888159510  -1.3591921854
*