! 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  -1.6756129557   0.5875371979  -2.8815647993
Cl  -4.2078380792   4.6340450157  -0.4876805564
F    3.6124689145   0.7109842157   0.6136026981
F    2.7731742545  -0.5198627318   2.1772896690
F    4.2447143566  -1.5310640320  -0.8422500651
F    3.4136734604  -2.7884806711   0.7391637022
O    1.8700564971  -0.6049748119   0.1405311712
N   -0.3720970383  -2.3527644937   0.9165850571
N   -0.5755193416  -3.1145536249  -0.1573846488
N    0.6383660710  -4.2175286811   1.3651184004
C   -0.4623428776  -0.0787356468  -0.0847523606
C   -0.9551793177  -1.0351580212   1.0091810594
C    0.9310545585   0.4790504897   0.1720200038
C   -1.4099032408   1.0892331563  -0.2170228029
C   -1.9982013833   1.4648333700  -1.4230631751
C   -1.7184094590   1.8619545093   0.9016299818
C    2.9990860493  -0.4795989122   0.8359256441
C   -2.8601749826   2.5478611767  -1.5178702307
C   -2.5711761178   2.9494978381   0.8396548522
C    0.3557004595  -3.0181961312   1.8140679601
C   -3.1379330662   3.2819003097  -0.3790335230
C    3.9838231216  -1.5929670285   0.4825605040
C    0.0491856677  -4.2217834493   0.1550036187
H   -0.4448340507  -0.6331368759  -1.0244038351
H   -0.7370644825  -0.6531582897   2.0067157514
H   -2.0377298537  -1.1437159481   0.9351081597
H    1.1922655299   1.1964191616  -0.6086335807
H    0.9568488403   0.9995101137   1.1331479004
H   -1.2836942146   1.6133017780   1.8619307191
H   -3.3035075379   2.8120819138  -2.4679009435
H   -2.7859550492   3.5242088500   1.7295207868
H    0.6395288200  -2.6019363675   2.7676954941
H    4.9159937512  -1.5040390567   1.0431367937
H    0.0795218973  -5.0661320452  -0.5162550554
*