! 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   5.2691871410   3.0922468008  -1.3083605889
O   -2.2028412150   0.1925860174   2.0173085742
N   -0.8309551126  -2.8671885297   0.5017040660
N   -1.4664502644  -3.5162660327  -0.4753565875
N    0.7150518697  -4.0116052265  -0.5075837676
C   -1.7880527544  -0.5559675487   0.8932279927
C   -2.8068513851  -0.5179048741  -0.2825237984
C   -0.5488164266   0.1528691115   0.3256741163
C   -2.3027811161   0.5912812817  -1.2363368482
C   -1.1527782871   1.2798960976  -0.5050050411
C   -4.2885580949  -0.4106911505   0.1289322884
C   -1.5122917886  -1.9807033602   1.4164910875
C    0.4874345525   0.5860904124   1.3630507400
C   -4.7667934829   0.9998793606   0.4773090281
C   -5.1739643136  -0.9835734716  -0.9748351073
C    1.6921095367   1.2120544789   0.7191521446
C    0.4682085897  -3.1758913047   0.4717833277
C    2.6556492430   0.4265215057   0.0906897513
C    1.8621754650   2.5931590278   0.7034157458
C    3.7556126475   0.9924238981  -0.5344573215
C    2.9555293775   3.1808028465   0.0832690697
C   -0.5026712116  -4.1852673569  -1.0558075378
C    3.8957145487   2.3716425612  -0.5326947651
H   -2.7116034530  -1.4744215676  -0.8013246217
H   -0.0657126337  -0.5386601555  -0.3763782512
H   -3.0825728041   1.2924147951  -1.5340311274
H   -1.9295095681   0.1410152103  -2.1586170874
H   -0.4329743041   1.7346119209  -1.1868298774
H   -1.5230081170   2.0746432121   0.1493815801
H   -4.4439373256  -1.0495886654   1.0100430402
H   -2.4494934816  -2.4609097351   1.7065606849
H   -0.8970712519  -1.9171416980   2.3148265173
H    0.8054475930  -0.2755345339   1.9586855817
H    0.0409380033   1.2947354117   2.0621973632
H   -3.0553804799  -0.1328995920   2.3255575353
H   -4.8406053708   1.6281354192  -0.4124534311
H   -5.7657195086   0.9615547524   0.9162854989
H   -4.1187431859   1.5149576116   1.1846260620
H   -6.2319571174  -0.9065322298  -0.7152621551
H   -4.9562371558  -2.0373867196  -1.1587310141
H   -5.0298635245  -0.4476903883  -1.9165808255
H    1.1824914464  -2.7852827268   1.1806126186
H    2.5560701334  -0.6528259183   0.0877481756
H    1.1300308807   3.2298039614   1.1855376285
H    4.4940815518   0.3633604151  -1.0130853722
H    3.0692483906   4.2566261811   0.0847543801
H   -0.6855156887  -4.8303491655  -1.9012032385
*