! 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  -5.2967394810   1.1578789766   0.7022719250
F   -0.3095789376  -0.8874633065  -2.0715725806
F   -1.0603615040  -2.6915458554  -1.1709507085
F   -2.3045878204  -1.5559193707  -2.5003204053
O    2.3325842469   1.5149425713  -0.2892615939
N    2.4614273624  -1.0239415700   0.8615780988
N    0.2017140509  -0.9607860415   0.7580338617
N    4.5780966837  -1.5284731960   1.2174108322
C    1.2734702426  -0.2948256047   0.7821744489
C    1.4112789878   1.2043902359   0.7150622842
C    2.6076952762   2.8998080169  -0.3749719457
C   -1.0618275206  -0.3934165141   0.7211560879
C    3.7001195018   3.1272590241  -1.3974085367
C   -1.9101891481  -0.6490289555  -0.3641136867
C   -1.5555387695   0.3412667878   1.7969435851
C   -3.2088982692  -0.1635119706  -0.3707834189
C    2.5669059842  -2.3942388587   0.7277932299
C    4.0127767134   4.6078283439  -1.5515672843
C    3.7170024995  -0.5630755845   1.1578386078
C   -1.3974902358  -1.4463483103  -1.5250840934
C   -2.8531416683   0.8209615291   1.7977316539
C   -3.6718435141   0.5656571611   0.7114914650
C    3.8737009849  -2.6765682254   0.9416505173
H    1.7296180870   1.5815931488   1.6984465061
H    0.4294148306   1.6470544263   0.5125996007
H    2.9230909304   3.2853385252   0.6049322212
H    1.6992931264   3.4501402016  -0.6568389063
H    4.6003845072   2.5879412236  -1.0910900653
H    3.3916996941   2.7115745445  -2.3602094140
H   -0.9222263344   0.5217006886   2.6559483186
H   -3.8664363694  -0.3495025113  -1.2082590774
H    1.7215842132  -3.0141243305   0.4872297506
H    4.8097191203   4.7659600571  -2.2783365830
H    3.1413182231   5.1681594174  -1.8950819437
H    4.3389905692   5.0500097042  -0.6082595290
H    3.9356364183   0.4766909193   1.3323254867
H   -3.2160613596   1.3883446346   2.6440326378
H    4.3520103129  -3.6427865151   0.9136251098
*