! 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   5.9771031947   0.1919692301  -0.2014441388
O   -2.5985834720   0.1374980802   1.6896478855
N   -2.2325012126  -1.8257216206  -0.4050454253
N   -2.3800500667  -2.6799180652   0.6084775428
N   -0.7616726716  -3.3800776064  -0.7721973103
C   -3.0926950525   1.8925535932  -0.0002734713
C   -2.4123602439   0.5381879206   0.3621668309
C   -2.3849952306   2.2655601339  -1.3085054672
C   -0.9655794413   0.7750662572  -0.0338653939
C   -0.9343355145   1.7820684022  -1.1504802614
C   -2.9920176346  -0.6042019828  -0.4972571623
C   -2.7586381316   2.9296766070   1.0757999946
C   -4.6059374146   1.8114837497  -0.1487277501
C    0.0415374620   0.1549659381   0.5888142661
C    1.4804542475   0.2218890049   0.3454100542
C   -1.2605408622  -2.2522970699  -1.2156118964
C    2.3220940643  -0.4354852916   1.2507948981
C    2.0842206961   0.8703129507  -0.7374112933
C   -1.4817663652  -3.5946880209   0.3465437021
C    3.6969016397  -0.4481558522   1.0977753965
C    3.4590628267   0.8658589231  -0.9056916613
C    4.2592802753   0.2064297656   0.0132614524
H   -2.4428837123   3.3365811746  -1.5080076613
H   -2.8618221298   1.7697065861  -2.1576625618
H   -0.2628391688   2.6086218899  -0.9034338553
H   -0.5579436602   1.3524249214  -2.0827922787
H   -3.0200613563  -0.3195811328  -1.5479961286
H   -4.0142473993  -0.8242237436  -0.1906380183
H   -1.6854276363   3.0265266240   1.2594871171
H   -3.1184911230   3.9127298035   0.7670791241
H   -3.2405255481   2.7032538001   2.0290497409
H   -5.0183804931   2.8009477941  -0.3567327917
H   -4.9184846791   1.1619426228  -0.9679426152
H   -5.0797050942   1.4501497034   0.7666628616
H   -2.1197501474   0.7408299797   2.2690438763
H   -0.2281828232  -0.5130014987   1.4024572999
H   -0.9623843112  -1.7229611119  -2.1072275186
H    1.8901541557  -0.9544785419   2.0979384572
H    1.4925623378   1.3782128605  -1.4828708345
H   -1.3430503061  -4.4549459061   0.9832946012
H    4.3189755188  -0.9662236772   1.8151494408
H    3.8979974341   1.3710433017  -1.7555390998
*