! 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  -5.3864018230   1.0974723449  -0.4986566154
F   -0.2525994405  -1.1235150991   1.8165301177
F   -2.1790270449  -2.0486432122   2.0185016960
F   -0.8258172359  -2.7223578457   0.4959813516
O    2.2585634691   2.0895122165   0.3771365296
N    2.5228335088  -0.3231288067  -1.0782988203
N    0.2679667139  -0.5024497043  -0.9690753976
N    4.0094539333  -1.9274540450  -1.3570784345
C    1.2703160536   0.2604840848  -0.8739044243
C    1.2652451143   1.7388148486  -0.5352810655
C    2.0247413096   1.6158820041   1.6925347924
C   -1.0408901279  -0.0708604346  -0.8238104287
C    3.1907706866   2.0009299599   2.5753034307
C   -1.8586143562  -0.6317286463   0.1665579480
C   -1.6047477647   0.8362574574  -1.7189311568
C   -3.1913152873  -0.2622090796   0.2699639556
C    3.7151592421   0.2964741528  -1.3968797946
C    4.5030985052   1.3441463870   2.1729343471
C    2.7719939178  -1.6701773910  -1.0760981013
C   -1.2807456822  -1.6314683532   1.1218846440
C   -2.9362927305   1.1985673901  -1.6264567143
C   -3.7208461379   0.6496958259  -0.6272615097
C    4.6070535052  -0.7082858424  -1.5710031213
H    0.2671156432   2.0099698248  -0.1710773904
H    1.4351235233   2.3155285150  -1.4490370282
H    1.9098885550   0.5238545770   1.7022115951
H    1.0910087886   2.0425770801   2.0818910641
H    3.2970072268   3.0894275856   2.5885842929
H    2.9296658683   1.7075596251   3.5951363383
H   -0.9971305089   1.2485218941  -2.5141434816
H   -3.8241003925  -0.6798392081   1.0401127700
H    3.8282088151   1.3616767665  -1.4845176964
H    4.8398022519   1.6687625373   1.1886330644
H    5.2929974476   1.5864419168   2.8851319770
H    4.4086421561   0.2565149088   2.1456294072
H    2.0033161700  -2.3894638911  -0.8450765018
H   -3.3515129017   1.9038863940  -2.3331975023
H    5.6490891894  -0.6234822717  -1.8360559910
*