! 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  -4.9613174797  -2.1046094628  -0.9336389642
O    1.7320891887  -1.5867640714  -0.3550606282
N    1.9120261309  -0.2134234235  -0.6884186893
N    2.3614626656   4.2193684204   0.8665350998
C    2.1469655618   0.4389559016   0.6128779824
C    1.0736827039  -0.2679188327   1.4691111327
C    0.8109561065  -1.5866007046   0.7100415209
C    1.8372808444   1.9133791705   0.4409723185
C    3.5360718555   0.1775492171   1.1944514652
C   -0.6228145319  -1.7196513054   0.2557958592
C    2.9855459064  -0.1482992447  -1.6486933518
C    0.7044339684   2.3142249791  -0.2662482674
C    2.6262979152   2.9208483466   0.9822330848
C   -1.0281507636  -1.4360431831  -1.0435703221
C   -1.5816375907  -2.1286548954   1.1785951235
C    0.4210252789   3.6607264920  -0.3961609635
C   -2.3612704507  -1.5503559319  -1.4131991901
C   -2.9163968334  -2.2479420539   0.8258749123
C    1.2815128021   4.5781433415   0.1895934150
C   -3.2956905825  -1.9557213655  -0.4749092194
H    1.4335028949  -0.4453076140   2.4821292104
H    0.1648414641   0.3271253095   1.5507090604
H    1.0618073417  -2.4496091995   1.3320549582
H    4.3327710797   0.6516763915   0.6199940716
H    3.7419667074  -0.8930732321   1.2298790269
H    3.6034891763   0.5470806494   2.2176364638
H    3.9146802540  -0.6291926539  -1.3243750971
H    3.1940430841   0.9004367748  -1.8601626022
H    2.6664383006  -0.6103002126  -2.5831511762
H    0.0512176174   1.5753563831  -0.7126565119
H    3.5213876430   2.6814610852   1.5438282570
H   -0.3103203752  -1.1137781305  -1.7851651898
H   -1.2883749661  -2.3652992456   2.1951473038
H   -0.4510066405   3.9973754983  -0.9404192975
H   -2.6628860070  -1.3245201284  -2.4273385094
H   -3.6468473077  -2.5708632361   1.5554983702
H    1.0880393192   5.6421204789   0.1090212613
*