! 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  -3.6602578427   3.1625005419   0.4341849362
N   -0.3133073770  -2.0506134535  -0.9221075362
N   -0.4424911169  -3.1544374021  -0.1788770335
N   -2.4426886227  -2.4845671014  -0.9463589405
N    1.5247906159  -1.7870417772   2.3508778150
C    1.2033356864  -0.3983270216   0.1580499709
C    2.5270435458   0.3687857600  -0.0767307086
C    0.9423715982  -1.3582370663  -1.0300464631
C    3.7861888882  -0.4912297164  -0.1128725234
C    0.0094002681   0.5388831438   0.2982940573
C    5.0579139800   0.3474364287  -0.2145604779
C    1.3602359551  -1.1820059288   1.3853524428
C   -1.0130128362   0.2872890857   1.2071285788
C   -0.1319230058   1.6135362604  -0.5759056688
C    5.1855655932   1.1291447088  -1.5139569777
C   -2.1433932207   1.0886916623   1.2565705792
C   -1.2535788669   2.4255027095  -0.5368704351
C   -1.5133102315  -1.6583289318  -1.3564733709
C   -2.2538586134   2.1556701074   0.3827540425
C   -1.7299149241  -3.3736345134  -0.2288082679
H    2.6197710959   1.1222671791   0.7091317405
H    2.4305020111   0.9084649298  -1.0195144459
H    1.7343180939  -2.0983194005  -1.1202437685
H    0.9312788383  -0.7689977370  -1.9463658995
H    3.7531655866  -1.1858093336  -0.9569097432
H    3.8475421923  -1.1028526126   0.7907997644
H    5.9166917059  -0.3205698996  -0.1151946362
H    5.1064199960   1.0337033744   0.6359474435
H   -0.9552065582  -0.5462869396   1.8953059297
H    0.6258845149   1.8373685591  -1.3139751878
H    4.4071366755   1.8857214520  -1.6223051052
H    5.1250067814   0.4668962443  -2.3798381379
H    6.1437696216   1.6474855537  -1.5643076905
H   -2.9259456522   0.8723299694   1.9703270681
H   -1.3408121990   3.2568789652  -1.2223849159
H   -1.6586436090  -0.7875316196  -1.9761327154
H   -2.1756746542  -4.2203950790   0.2686361357
*