! 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   0.4077047412  -1.6570799682   2.3583471367
F   -4.5457190126   2.6772944877   0.2027609045
O    0.8718242123  -0.0443654551  -1.6799273927
N    3.0513786945   1.1711875583  -0.3162276443
N    3.7153672931   0.5549496104   0.6658304966
N    4.9313318395   0.5715393788  -1.2139535642
C    0.6318555384   0.6936723477  -0.5040049204
C    0.8491981231  -0.7592431362  -0.4582373537
C    1.7203540138   1.6827441214  -0.1304584537
C   -0.7485324708   1.2316685339  -0.3285056672
C   -0.2971583199  -1.6798837027  -0.2471343721
C   -1.2498151043   1.4361520885   0.9531347307
C   -1.5452012968   1.5291999499  -1.4270324264
C   -0.5855148151  -2.1581231518   1.0261911361
C   -1.1170034581  -2.0767212869  -1.2969559700
C   -2.5324569046   1.9258572043   1.1420091792
C   -2.8304575152   2.0215925033  -1.2554381061
C    3.7853131988   1.1675500282  -1.4322266840
C   -1.6534547971  -3.0068972815   1.2636917087
C   -2.1890444418  -2.9280843357  -1.0775416438
C   -3.3003742531   2.2081760615   0.0290161986
C   -2.4576886268  -3.3923049047   0.2014560078
C    4.8365424050   0.2165222399   0.0829129837
H    1.8163419678  -1.1336541995  -0.1268663086
H    1.6127312742   1.9913978501   0.9074746990
H    1.6073265011   2.5741993689  -0.7476646486
H   -0.6480129416   1.1980362564   1.8215107800
H   -1.1716743617   1.3730090578  -2.4304383043
H   -0.9139645343  -1.7141209011  -2.2956413393
H   -2.9288720178   2.0763779016   2.1376010449
H   -3.4547040365   2.2522023382  -2.1087965398
H    3.4502941791   1.6112903989  -2.3566239049
H   -1.8590306537  -3.3598958901   2.2652527154
H   -2.8152708708  -3.2270644098  -1.9075294999
H   -3.2947159502  -4.0542259720   0.3797949481
H    5.6192747266  -0.3033659388   0.6134703101
*