! 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 "1-OCTANOL"
end
*xyz 0 1
Cl  -3.0493110142   3.5492009192   0.3853760965
N   -0.6253955248  -2.3963788979  -0.6498862939
N   -0.4787454093  -3.4588618100   0.1467012170
N   -2.6047733420  -2.7598786060   0.1585530260
N    2.0211346115  -1.7700371676   1.7173333467
C    1.1709570511  -0.6677240327  -0.4940710242
C    2.3965389859  -0.1709787976  -1.3041190612
C    0.5001227954  -1.8007302518  -1.3170949964
C    3.0192503010   1.1528410330  -0.8692145341
C    0.1484045776   0.4242516991  -0.2234040471
C    3.6101640892   1.2189890513   0.5358349668
C    1.6387144146  -1.2664233064   0.7573169349
C   -0.4017185551   0.6407263377   1.0331597573
C   -0.3106415695   1.1941968822  -1.2907778753
C    4.7874142171   0.2825360568   0.7636782672
C   -1.3845247385   1.6012887852   1.2293768348
C   -1.2894918005   2.1554866860  -1.1118682952
C   -1.8996408216  -1.9878080324  -0.6291937430
C   -1.8222441122   2.3515279703   0.1537110284
C   -1.6881580784  -3.6410809418   0.6076642320
H    2.0779942061  -0.0687353316  -2.3443187872
H    3.1435092091  -0.9679092224  -1.3079878184
H    1.2216795384  -2.5860673007  -1.5358819842
H    0.1647298132  -1.3864476471  -2.2665878627
H    2.2836551325   1.9524813996  -0.9826217536
H    3.8094820269   1.3766754655  -1.5916762698
H    2.8371474321   1.0386755049   1.2877037304
H    3.9409278700   2.2467649238   0.7050381311
H   -0.0803867011   0.0617736676   1.8893919353
H    0.0903564603   1.0552132919  -2.2870312514
H    5.2001922489   0.4125072903   1.7651236879
H    5.5905636023   0.4814349109   0.0510081837
H    4.5140609178  -0.7685073670   0.6659871691
H   -1.8011076894   1.7508278137   2.2160200177
H   -1.6305917484   2.7426608285  -1.9533969578
H   -2.2595647890  -1.1470749525  -1.2015126444
H   -1.9219746581  -4.4432213472   1.2901311600
*