! 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  -0.9833304698   0.3900469431  -2.4116575088
Cl  -2.9008173498   3.3440784179   1.6006410171
F    3.5784137761   0.2869158487   1.1367675659
F    4.2941267879  -0.8166912511  -0.5725980661
F    4.9233734845   1.8078191834  -0.6661634349
F    2.8186782002   2.3643940419  -0.4855244317
O    2.1296731557  -0.2748248708  -0.4695969581
N   -1.8790041737  -2.8890222119   0.1802314305
N   -2.7226649986  -2.6726466304   1.1901871071
N   -3.8525777806  -3.0430140684  -0.7053052491
C    0.1423413687  -1.5314358923  -0.2287916385
C   -0.4492535884  -2.8132086222   0.3672640421
C    1.6104991771  -1.4503613154   0.1579038486
C   -0.6122370452  -0.2980460386   0.1998995787
C   -1.1564908526   0.6123215352  -0.7004879095
C   -0.7933109142  -0.0286872639   1.5544106951
C    3.3758084121   0.1089982873  -0.1916216722
C   -1.8615427357   1.7331029480  -0.2845560821
C   -1.4834304654   1.0818689279   2.0036188260
C   -2.5645622237  -3.1023156575  -0.9449948650
C   -2.0188934771   1.9545696240   1.0707319292
C    3.6605232272   1.4108168349  -0.9396098995
C   -3.8927417604  -2.7792064902   0.6149292489
H    0.0977807066  -1.6284581260  -1.3145098940
H    0.0159257015  -3.6814778933  -0.0991906584
H   -0.2676389155  -2.8857043529   1.4382736863
H    1.7218929813  -1.3938828431   1.2435167527
H    2.1402846977  -2.3383604603  -0.1959330106
H   -0.3854198031  -0.7067640568   2.2937704386
H   -2.2769563153   2.4192208774  -1.0094403876
H   -1.6048834841   1.2567663250   3.0634836224
H   -2.0938993927  -3.3014614680  -1.8951439663
H    3.5396929259   1.2982415884  -2.0176919675
H   -4.8112814887  -2.6618284540   1.1686480089
*