! 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  -6.9028981607   3.9835330809   0.4436421636
O    1.4473407851   0.9385247602   0.0321039509
O    1.3778170981  -3.0410130800   1.1462629847
N    2.1963016843  -1.1862138544   0.1194533398
N    3.2824066442  -3.2552266880  -0.0651885394
N    4.4561794128  -4.4590767963  -1.4839837157
C    1.0206442261  -0.3289621258   0.4681210020
C    3.3386571628  -0.3424757093  -0.3288239310
C    2.8394167487   1.0009043043   0.2026463877
C   -0.2022604226  -0.7446900221  -0.3485017843
C    0.7493945091  -0.2930793850   1.9712622479
C    4.6756331604  -0.6812751031   0.3132469586
C    3.4551971951  -0.2786403042  -1.8480841293
C   -1.4946182176   0.0222546444  -0.0730366092
C    2.2050322043  -2.4797399001   0.4593265871
C   -1.5052107905   1.4869410839  -0.5175764236
C   -2.8473935613   2.1228805642  -0.2919917149
C    4.1402042376  -4.0157079228   0.6903401733
C    3.5048589320  -3.5791926533  -1.3669930650
C   -3.8680846446   2.0114316784  -1.2331588355
C   -3.1167038366   2.8138694525   0.8865227572
C    4.8702731799  -4.7298744997  -0.2078650185
C   -5.1163223255   2.5760531259  -1.0163546838
C   -4.3577351242   3.3859214356   1.1238307146
C   -5.3496510657   3.2624050267   0.1647427431
H    3.1192998833   1.1401472970   1.2553022402
H    3.2305607432   1.8456667294  -0.3646378221
H   -0.4001550369  -1.7986258721  -0.1485516455
H    0.0536136879  -0.6712805013  -1.4098327225
H    0.1195709548   0.5670050905   2.2013246067
H    1.6682008878  -0.1890260440   2.5497147118
H    0.2350404187  -1.1839429847   2.3202198767
H    5.1765376489  -1.5295812468  -0.1486964255
H    4.5803529172  -0.8699658963   1.3832521814
H    5.3406775401   0.1766091542   0.1939989013
H    4.1850639000   0.4834531451  -2.1254033766
H    3.8001322746  -1.2162820299  -2.2778663084
H    2.5063010033  -0.0174786164  -2.3173856186
H   -2.2952150137  -0.5026310544  -0.6017231842
H   -1.7567392936  -0.0435261146   0.9864314793
H   -1.2420606145   1.5411990378  -1.5775976265
H   -0.7464367423   2.0558544596   0.0196648328
H    4.1688075475  -3.9571884606   1.7652855170
H    2.9127640474  -3.1701373856  -2.1697691626
H   -3.6891005196   1.4804275041  -2.1607884947
H   -2.3422449715   2.9172461007   1.6375797396
H    5.6709974450  -5.4231235959  -0.0028462016
H   -5.8930746990   2.4834169079  -1.7636082591
H   -4.5419573291   3.9243620398   2.0437946437
*