! 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   5.3343671871   2.3806953247   0.2049405392
O   -2.5950726934  -0.7500421464   1.8009210437
N   -1.1753756835  -2.4840177340  -0.1548815306
N   -0.8489240957  -2.8583233690   1.0855049699
N    0.6070844310  -3.7033490398  -0.3808958609
C   -2.3693590301  -0.3785428315   0.4521485231
C   -3.6069803262   0.4975217922   0.0588523302
C   -1.0082393491   0.3592720209   0.4054627304
C   -2.3377286921  -1.6560837344  -0.4129829276
C   -3.7973628662   1.6327490270   1.0718380619
C   -3.4703905556   1.1317096324  -1.3278558784
C   -4.8890930221  -0.3486754528   0.0616369557
C   -0.3091062833   0.6101638960  -0.9391093368
C    1.1093861248   1.0522678987  -0.7036926537
C   -0.3016781463  -2.9997358714  -1.0188623535
C    1.4256128708   2.4026633277  -0.5873994500
C    2.1329972880   0.1223405553  -0.5383220647
C    0.2274781507  -3.5843513289   0.9029505333
C    2.7189761775   2.8212434832  -0.3103342661
C    3.4323086239   0.5194303156  -0.2619610948
C    3.7138035845   1.8714294205  -0.1467009333
H   -0.3162267928  -0.2219730207   1.0222744089
H   -1.1083229579   1.3129446715   0.9289904595
H   -3.2233162960  -2.2592926218  -0.2161469097
H   -2.3278343037  -1.4292315416  -1.4774773448
H   -4.0103971406   1.2675353829   2.0763999441
H   -4.6437278348   2.2527626130   0.7673209252
H   -2.9301357681   2.2935674283   1.1296305900
H   -4.4242147358   1.5770829156  -1.6174238706
H   -3.2103181975   0.4159390614  -2.1096679445
H   -2.7356057892   1.9353845267  -1.3483786020
H   -5.7572167170   0.3049260922  -0.0417878188
H   -4.9325518640  -1.0510923884  -0.7727196075
H   -5.0150847387  -0.9116693294   0.9862565611
H   -0.8254542524   1.3739543866  -1.5174930065
H   -0.3036214191  -0.2879342099  -1.5590289034
H   -1.9604796374  -1.4436104113   2.0357065989
H   -0.3670748682  -2.8421462744  -2.0839653370
H    0.6519477111   3.1503325079  -0.7158809146
H    1.9241777123  -0.9374290646  -0.6288260201
H    0.7538015234  -4.0402588838   1.7267077965
H    2.9427956261   3.8760286761  -0.2253298266
H    4.2122262404  -0.2199478552  -0.1396327939
*