! 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   5.0196474479  -2.7219052510  -0.0888242800
N   -3.5387666121   0.3214423813  -0.1009273704
N   -4.0402564057   0.7049367381   1.0777641451
N   -4.8120998808   2.0158291563  -0.5641076404
N    0.1889277654  -2.4744687459  -0.6212716959
C   -1.1206051133  -0.3299704495   0.1028143002
C   -0.9427901596  -0.1132769761   1.6233168602
C   -2.5913071163  -0.7515592448  -0.2193585097
C   -0.7370381395   0.8753840262  -0.7419747511
C    0.4008535473   0.4678091837   2.0736167976
C    1.5949079349  -0.2961710185   1.5781501824
C   -0.3389681913  -1.5067032559  -0.2936814465
C   -1.0876554208   2.1549532591  -0.3165652871
C   -0.0979011712   0.7330632285  -1.9698474125
C    1.9364827616  -1.5257581029   2.1353869954
C    2.3561589277   0.1807790708   0.5158732196
C   -0.7995165650   3.2640878905  -1.0973886806
C    0.1935301957   1.8428471284  -2.7502286775
C   -4.0059239086   1.1162926103  -1.0694244271
C   -0.1556630777   3.1128962125  -2.3170337746
C    2.9861499654  -2.2755070088   1.6327708839
C    3.4111327324  -0.5550602987  -0.0026727159
C   -4.7960838048   1.7217731271   0.7510658967
C    3.7099750779  -1.7849725277   0.5567675396
H   -1.1137661520  -1.0735652692   2.1160878945
H   -1.7371551229   0.5424991292   1.9792842146
H   -2.6439314227  -1.1205194584  -1.2425765508
H   -2.8956783827  -1.5612220780   0.4432451786
H    0.3898143287   0.4766019254   3.1659311680
H    0.4808142607   1.5099885980   1.7623548178
H   -1.5852864831   2.3054325140   0.6333260893
H    0.1907637421  -0.2461457787  -2.3310097881
H    1.3684921508  -1.9166671808   2.9715487756
H    2.1235692572   1.1421053469   0.0746871295
H   -1.0808567105   4.2488012489  -0.7477401775
H    0.6986140861   1.7097179031  -3.6981086378
H   -3.7382924427   0.9955909609  -2.1074782034
H    0.0728164394   3.9787500889  -2.9246897544
H    3.2352624054  -3.2311473613   2.0741915556
H    3.9877127487  -0.1692297879  -0.8327250130
H   -5.3631831408   2.2686188560   1.4883104309
*