! 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  -1.5653675253  -0.0464931671  -2.7562204687
Cl  -4.7412716450   3.1333872661   0.1247044889
F    4.1639248140   1.4474131235   0.4808798081
F    3.3432005051  -0.0209641087   1.8353531965
F    5.2524124628  -0.5648291631  -1.0555846586
F    4.3890386797  -2.0492428527   0.2968446517
O    2.6823357438  -0.0283183438  -0.2979561660
N   -0.8747367467  -2.0629307759   0.8209590905
N   -1.1454333896  -2.8518394146  -0.2184251219
N   -2.8002045949  -2.9436385787   1.2866051136
C    0.2865566530  -0.1797804483  -0.2426841652
C    0.3173968202  -1.2518952032   0.8525462102
C    1.4869221993   0.7534430848  -0.1442062164
C   -0.9803203398   0.6374548537  -0.1836265465
C   -1.8678881099   0.7543452107  -1.2507471336
C   -1.3078532073   1.3232671174   0.9853088737
C    3.6993366389   0.1737566975   0.5371639864
C   -3.0257208827   1.5152559523  -1.1668990804
C   -2.4529134372   2.0900132767   1.1009932091
C   -1.8709210099  -2.1187481938   1.7062693221
C   -3.3056751522   2.1784237101   0.0135995731
C    4.8479265287  -0.7805045599   0.2148934491
C   -2.3066230263  -3.3614733940   0.1053579340
H    0.3418408954  -0.6939922159  -1.2031644083
H    1.1801476934  -1.9032970383   0.7209729619
H    0.3855431320  -0.8128934691   1.8478450931
H    1.4583825566   1.4882666314  -0.9497031072
H    1.4822356917   1.2973302926   0.8024293360
H   -0.6513782370   1.2616317201   1.8447684681
H   -3.6953134514   1.5866408279  -2.0126445689
H   -2.6713211192   2.6076279086   2.0244855924
H   -1.8704714025  -1.5589939060   2.6286096441
H    5.6917609761  -0.6511885314   0.8945297540
H   -2.8176536899  -4.0644708406  -0.5342491248
*