! 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  -3.6063627470   3.2635064969   0.3436403910
N   -0.3544044065  -2.1278418613  -0.7584846604
N   -0.4418120833  -3.1725765387   0.0680846800
N   -2.4577434738  -2.6534291379  -0.7552429049
N    1.5788851307  -1.6582202207   2.4076327119
C    1.1876212961  -0.4006732470   0.1486001339
C    2.5017767151   0.3546975589  -0.1684524256
C    0.8945883196  -1.4434506304  -0.9582261845
C    3.7538123412  -0.5126529833  -0.2556106768
C    0.0041028630   0.5545241643   0.2564444259
C    5.0321032216   0.3165660657  -0.3508948815
C    1.3837298080  -1.1094817100   1.4165126964
C   -0.2392739028   1.4561640427  -0.7779896490
C   -0.8961954901   0.5066218277   1.3139451318
C    5.1217737443   1.1831404285  -1.5985047690
C   -1.3425589310   2.2921813318  -0.7571353720
C   -2.0060464351   1.3383715423   1.3502992382
C   -1.5654963931  -1.8237152773  -1.2358918965
C   -2.2220454627   2.2259280579   0.3118576660
C   -1.7184112961  -3.4540512026   0.0384992047
H    2.6353175670   1.1211064113   0.5992477774
H    2.3588613024   0.8839197107  -1.1115701829
H    1.6838071274  -2.1904223556  -1.0119754939
H    0.8586889299  -0.9305576729  -1.9188383984
H    3.6987148967  -1.1769572120  -1.1229737585
H    3.8259271338  -1.1580103398   0.6241547238
H    5.8849057708  -0.3664370267  -0.3279681453
H    5.1229429728   0.9440219456   0.5410071248
H    0.4250763542   1.5214866278  -1.6298121617
H   -0.7555220687  -0.1837671669   2.1354291169
H    5.0112899496   0.5853213970  -2.5060514633
H    6.0878222091   1.6869025234  -1.6552661798
H    4.3559908890   1.9602206870  -1.6198913673
H   -1.5104602665   2.9843369262  -1.5709055608
H   -2.6920703960   1.2829976640   2.1843034968
H   -1.7411811417  -1.0112416090  -1.9237669166
H   -2.1330149817  -4.2740683361   0.6040343076
*