! 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  -0.5733098107   2.7756427376   1.9942733842
Cl   0.6543560579   4.7392815030  -0.1386116567
F    5.3201101961  -3.0213472848  -0.0279866618
F   -2.4699398630  -2.7396254136   1.5084067581
F   -2.8706335940  -3.3759383205  -0.5348355204
O   -0.0337933114  -0.5084670386  -1.9780173499
N   -0.0238175293  -1.7132574271  -0.0664857761
N   -3.7045156550   0.8610573338  -0.5073170946
N   -4.1172734084  -0.2786361284   0.0241156793
C    2.3209651583  -1.0103086004  -0.0270124767
C    1.3540276616  -2.0234066912  -0.0775004579
C   -1.9874989292  -0.4793596970  -0.6714514478
C    1.9455312702   0.4186714364  -0.0014760381
C   -3.0927766081  -1.1031980158  -0.0550929198
C   -0.6123650196  -0.9115451809  -0.9848802278
C   -2.4430908731   0.7906848988  -0.9491510722
C    3.6662905319  -1.3663047439  -0.0265759974
C    1.7412220646  -3.3555621954  -0.1065481282
C    1.0220120587   0.9027236948   0.9190471963
C    2.4881577698   1.2978862427  -0.9337626285
C    4.0187319713  -2.7003782170  -0.0472114124
C    3.0801158302  -3.7104209008  -0.0801726301
C   -3.2684356341  -2.4955459879   0.4210555275
C   -4.5694459261   2.0189033303  -0.5404318459
C    0.6168510972   2.2265860855   0.8766612062
C    2.1031550464   2.6257556152  -0.9632489291
C    1.1550838636   3.0938505745  -0.0670464274
H   -0.5462175179  -1.9933599780   0.7492190029
H   -1.9457701671   1.6283996636  -1.4111231040
H    4.4354983042  -0.6057348162   0.0188214663
H    0.9833173988  -4.1263577444  -0.1576411965
H    0.6065706947   0.2522894372   1.6765857700
H    3.1999906161   0.9416478211  -1.6667412753
H   -4.2996405835  -2.7078109520   0.7032307291
H    3.3823256574  -4.7489122591  -0.0990878179
H   -4.6724940282   2.3846152109  -1.5594715501
H   -5.5460111545   1.7306685845  -0.1650424005
H   -4.1678364424   2.8124732976   0.0870677175
H    2.5257412312   3.2966089019  -1.6986737136
*