! 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  -4.4294533602   1.9786885685   0.9087028578
F   -0.7500296251  -2.6915613082  -0.1739312800
F   -2.2659677444  -1.9985441334  -1.5271069507
F   -0.2240055290  -1.4070339297  -1.8133009560
O    1.1073830162   1.2889485911  -1.2734260465
N    2.9798401473  -1.3122845326   0.5185497230
N    0.8671904904  -0.6040234294   0.9069512356
N    4.1579930561  -2.8142194616   1.6213064078
C    1.8916458274  -0.4904751084   0.1891653372
C    2.1282521313   0.3892419750  -1.0188696608
C    1.3035179235   2.5995124293  -0.7663661319
C   -0.3468591023   0.0492939609   0.8037525224
C    0.4623987110   3.5745382390  -1.5622312228
C   -1.3868448412  -0.4348146018  -0.0018648594
C   -0.6189948764   1.1042974397   1.6745141927
C   -2.6391705140   0.1638529081   0.0330051346
C    4.1770819982  -1.4492965182  -0.1568042582
C   -1.0370669517   3.3457216793  -1.4536266333
C    3.0347169520  -2.1692403803   1.5831445511
C   -1.1594470380  -1.6275127424  -0.8769513076
C   -1.8651044003   1.6991296810   1.7125492331
C   -2.8685795329   1.2300850761   0.8820247233
C    4.8792265879  -2.3775831052   0.5376977516
H    2.2436179310  -0.2676043541  -1.8879425737
H    3.0922745482   0.8966960440  -0.8874639472
H    2.3611452277   2.8784654273  -0.8503592948
H    1.0418107141   2.6479516256   0.2981667717
H    0.7066401176   4.5774082877  -1.2017809809
H    0.7762943783   3.5419892617  -2.6095224545
H    0.1595111092   1.4513965607   2.3408470167
H   -3.4417670054  -0.1975439351  -0.5943147278
H    4.4241912611  -0.9026121779  -1.0497775582
H   -1.3828323936   3.4742262612  -0.4277393059
H   -1.5825400730   4.0584650567  -2.0737702924
H   -1.3230523833   2.3443456705  -1.7758339513
H    2.2204219782  -2.2599110140   2.2827193588
H   -2.0471816806   2.5216951500   2.3909205590
H    5.8652700483  -2.7556865202   0.3187438579
*