! 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  -1.2157685905   0.0002626163  -2.4370353260
Cl  -4.8892994845   2.9665260412   0.0502257040
F    3.1075866238   0.1825830153  -1.4523878606
F    4.1150409977   1.6196181683  -0.1955333668
F    4.2989944894  -1.8808329199  -0.0974837456
F    5.3083109844  -0.4479405000   1.2064308553
O    2.7045877985   0.1740477784   0.7471827399
N   -0.9045372158  -2.0603071669   0.9455635393
N   -0.8763254959  -2.8425469146  -0.1337783677
N   -2.8658748650  -2.9828641145   0.8824212964
C    0.3329005555  -0.0459954752   0.2778397654
C    0.2102078274  -1.2061584077   1.2742497734
C    1.4670629708   0.8977889197   0.6686177760
C   -0.9630744741   0.7203615207   0.1816475770
C   -1.7307362918   0.7829692993  -0.9800713864
C   -1.4615086375   1.3855567362   1.3012800381
C    3.6180655700   0.3554466175  -0.2056394496
C   -2.9361893391   1.4684834613  -1.0314361903
C   -2.6562056557   2.0821196236   1.2806364285
C   -2.0974159323  -2.1465086613   1.5380876397
C   -3.3877168632   2.1134553741   0.1051523242
C    4.7800667272  -0.6208654355  -0.0243894230
C   -2.0704854142  -3.3781529285  -0.1303192947
H    0.5701635224  -0.4726817072  -0.6969774594
H    1.1163712639  -1.8098946125   1.2753165853
H    0.0585078605  -0.8428827430   2.2905927275
H    1.5259867161   1.7303812109  -0.0349479858
H    1.3108478763   1.3242894693   1.6604689538
H   -0.9078381561   1.3600110375   2.2319488218
H   -3.5113244435   1.4946463102  -1.9466541362
H   -3.0079813390   2.5866777488   2.1695247274
H   -2.3522851346  -1.5976376103   2.4313243571
H    5.5546556728  -0.4810931450  -0.7797437004
H   -2.3793497564  -4.0843746231  -0.8855148727
*