! 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  -5.4123340912  -0.7825962386  -0.2305796157
O    3.2578180327   1.4232298914   1.0272802313
O    1.7918148793  -1.4728477917  -1.9821684942
N    2.4978852833  -0.3437517820  -0.1433211209
N    0.5108988483  -1.5954991414  -0.1148317046
N   -0.7063000373  -2.8735304815   1.2019723322
C    2.2334950946   0.4589715099   1.0949534737
C    3.8133300557   0.0190460209  -0.7260412264
C    4.3853379819   0.8097931000   0.4473525109
C    0.9000986507   1.2032120068   1.0967872979
C    2.3911932713  -0.3575420007   2.3757071639
C    4.6794292678  -1.1953628445  -1.0230317215
C    3.6797426396   0.9205641059  -1.9513410260
C    0.6354051142   2.1039020403  -0.1013431890
C    1.6535845138  -1.1208923516  -0.8270121896
C   -0.6641224653   2.9061284757   0.0451843327
C   -1.8919607447   2.0426023289  -0.0088852283
C   -0.7937759585  -1.4334462744  -0.5161866874
C    0.5029974388  -2.4889765189   0.9107519745
C   -2.4403512978   1.6767653409  -1.2362297177
C   -2.4808881732   1.5405602522   1.1482293594
C   -1.5252265122  -2.2078441598   0.3265594001
C   -3.5287019521   0.8214132077  -1.3161964533
C   -3.5667707513   0.6797423353   1.0908270755
C   -4.0765933336   0.3221505904  -0.1456891400
H    4.8988691307   0.1533029366   1.1602059692
H    5.0862679438   1.5805407151   0.1301060690
H    0.8995651376   1.8122447432   2.0063794522
H    0.0874553715   0.4886473455   1.2315925551
H    1.5069644541  -0.9507430056   2.5949209241
H    2.5298074224   0.3268415012   3.2128005920
H    3.2490024146  -1.0286660263   2.3401498226
H    4.3419180453  -1.7446527539  -1.8989840223
H    4.7115525613  -1.8783429400  -0.1736793286
H    5.6999620895  -0.8631444678  -1.2191034324
H    3.1109932346   1.8232356191  -1.7281579677
H    4.6735162234   1.2280088510  -2.2789674616
H    3.2009436468   0.4111463033  -2.7840845618
H    1.4581420358   2.8108188357  -0.2196321412
H    0.5899828582   1.5253325975  -1.0289384725
H   -0.7054185846   3.6458200005  -0.7566670495
H   -0.6389687544   3.4631265962   0.9851890788
H   -1.0749987628  -0.7781087457  -1.3223338776
H    1.4092761557  -2.8552353881   1.3653934178
H   -2.0091537674   2.0611924887  -2.1529625748
H   -2.0856713038   1.8178430079   2.1179676997
H   -2.5964700266  -2.3243910060   0.3504564764
H   -3.9375733609   0.5468259919  -2.2791068362
H   -4.0033680128   0.2916185401   2.0009137694
*