! 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   4.7945634515   1.9975918085  -2.2832380478
O   -0.2694336670  -0.8126186456  -0.6820319693
N   -2.0876878477   1.2701068163   0.3151014610
N   -1.8271302065   1.6353026222  -0.9452685090
N   -3.9360310710   2.1585741674  -0.4065476402
C   -0.7832054845  -0.8304285600   0.6306139859
C   -2.0531621561  -1.7471240071   0.8340007939
C    0.2953098459  -1.4587643969   1.5422324264
C   -1.6482127310  -2.7427489987   1.9380513675
C   -0.4993616899  -2.0814945840   2.6784359900
C   -2.6149796015  -2.4489694810  -0.4108465808
C   -1.0839757201   0.5996074426   1.1102406220
C    1.4468380371  -0.5733509952   2.0206885719
C   -3.6787883266  -3.4712200934  -0.0067726443
C   -3.2467783418  -1.4926997883  -1.4184913229
C    2.2760915081   0.0673244174   0.9402804604
C   -3.3466873305   1.5802279768   0.6157444251
C    2.4676995937   1.4444715925   0.9082559538
C    2.8956981434  -0.7011606690  -0.0435220386
C    3.2389878919   2.0499878762  -0.0753838676
C    3.6709819172  -0.1193139795  -1.0322864311
C   -2.9644740851   2.1567354627  -1.3345169503
C    3.8320016533   1.2589200174  -1.0425619162
H   -2.8668730691  -1.1283401665   1.2341520033
H    0.7215677591  -2.2859874672   0.9610810680
H   -1.2840597147  -3.6713618687   1.4872319056
H   -2.4837628535  -3.0082184394   2.5859167161
H   -0.8615855140  -1.3114155504   3.3678248988
H    0.0925770246  -2.7841192550   3.2668145849
H   -1.7987623256  -2.9907381672  -0.9014988879
H   -0.1894486835   1.2191319475   1.0747830672
H   -1.4398892405   0.5911166627   2.1391884313
H    2.0985948677  -1.2077610546   2.6295647179
H    1.0776716979   0.1969222169   2.7029448003
H   -0.6644851691  -0.0848659465  -1.1803416885
H   -4.1065400526  -3.9488786281  -0.8902020347
H   -3.2883882832  -4.2663317987   0.6279289278
H   -4.4995377962  -2.9904924890   0.5324386764
H   -3.6811972137  -2.0502448088  -2.2507572491
H   -2.5457832473  -0.7842496018  -1.8522627637
H   -4.0572990767  -0.9234972653  -0.9564657702
H   -3.7837477154   1.3911789532   1.5831751697
H    2.0107630922   2.0692905015   1.6667236502
H    2.7774001065  -1.7775352812  -0.0449525251
H    3.3701142087   3.1235187461  -0.0804781534
H    4.1421319709  -0.7335834851  -1.7876686092
H   -3.0908824616   2.5588865376  -2.3271975567
*