! 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   4.8535883707   0.3954096070   0.6709175844
O   -1.5283294308   0.4984640886   1.2002976478
N   -0.6368707320  -1.9451541525  -0.0790574263
N    0.2493162942  -1.6396530121   0.8773142893
N    1.2500945755  -2.7823623868  -0.7662880941
C   -2.1924173617  -0.0018141702   0.0595600973
C   -3.7036793028   0.3523892507   0.2578025948
C   -1.6317584819   0.6126119908  -1.2561489322
C   -2.0238521966  -1.5360400075   0.0016012682
C   -4.2094075924  -0.0992787215   1.6336626108
C   -3.9011075873   1.8703895956   0.1732999932
C   -4.5792597224  -0.3147437014  -0.8079404650
C   -0.7260812865   1.8375436602  -1.0955996917
C    0.6733200622   1.5070187085  -0.6488112138
C   -0.0210470945  -2.6139511912  -1.0517148533
C    1.5002335583   0.7287257326  -1.4565465481
C    1.1838369189   1.9555866051   0.5659537932
C    1.3622540806  -2.1531542434   0.4151699892
C    2.7853281991   0.3898954118  -1.0662461152
C    2.4683488589   1.6278778332   0.9765704429
C    3.2568118876   0.8396616555   0.1561607834
H   -2.4587033245   0.8875976541  -1.9114276333
H   -1.0793430367  -0.1395595397  -1.8261447721
H   -2.4648815952  -2.0151243104   0.8750924894
H   -2.5117629281  -1.9443274963  -0.8809593886
H   -5.2741587008   0.1254783510   1.7193774086
H   -3.7059895655   0.4153825893   2.4500282561
H   -4.1040798004  -1.1724550605   1.7985683294
H   -3.6863822919   2.2691494770  -0.8189354289
H   -3.2818295869   2.4057233922   0.8931983137
H   -4.9414311568   2.1171962039   0.3941214968
H   -4.6359981607  -1.3975623510  -0.6849111795
H   -5.6005830816   0.0628762792  -0.7336916851
H   -4.2409490724  -0.1140782701  -1.8256690008
H   -1.1720366991   2.5660200647  -0.4182415926
H   -0.6681114237   2.3266747639  -2.0717090771
H   -0.6506631461   0.0941983106   1.2621102462
H   -0.5343877935  -2.9699781788  -1.9309014860
H    1.1371809744   0.3674746671  -2.4115484849
H    0.5704277695   2.5697457101   1.2133507430
H    2.2874357289  -2.0810335512   0.9643949926
H    3.4048307597  -0.2245102517  -1.7051375248
H    2.8432386429   1.9822504223   1.9272943102
*