! 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  -4.7339214980   1.6792953129   0.7649032283
F    0.0991300375  -0.7187911691  -1.9916450017
F   -0.8427863996  -2.4912129065  -1.2231102981
F   -1.9379265996  -1.1616351113  -2.5044416439
O    0.9720285131   1.6032442781   0.2519453496
N    2.6929225278  -1.5472581576   0.7935900334
N    0.4834598379  -1.0648627411   0.9003035522
N    4.7259258303  -2.4012014345   0.7476988615
C    1.6381945075  -0.6376118075   0.6484377124
C    2.0537708020   0.7379293830   0.1797849393
C    0.8436612752   2.5215864657  -0.8157613361
C   -0.7056425691  -0.3581600584   0.8287364852
C    1.8534176463   3.6549348204  -0.7642277385
C   -1.5237055498  -0.4343261154  -0.3037699537
C   -1.1809399416   0.3192293556   1.9507387549
C   -2.7614972540   0.1978403493  -0.3227876202
C    2.5760435448  -2.8608726922   1.1986768195
C    1.6171680435   4.6550874693  -1.8858670968
C    4.0203754909  -1.3356185926   0.5353899786
C   -1.0564602572  -1.1993441986  -1.5011695618
C   -2.4098224120   0.9463431297   1.9356028975
C   -3.1929028207   0.8889536485   0.7923194455
C    3.8349947991  -3.3602818213   1.1651580633
H    2.4469018081   0.6380327007  -0.8414211996
H    2.8852528818   1.0856436763   0.8044487459
H   -0.1702517464   2.9207770682  -0.7375193755
H    0.9110377380   2.0003149157  -1.7796049022
H    1.7826445171   4.1570390621   0.2044569175
H    2.8701488294   3.2570917481  -0.8406030525
H   -0.5697820820   0.3600047078   2.8422950795
H   -3.3916947866   0.1541328469  -1.2000201111
H    1.6306155630  -3.2986543533   1.4655357715
H    0.6265170268   5.1084921344  -1.8160800665
H    2.3490582094   5.4623249127  -1.8522134617
H    1.6959151558   4.1839529828  -2.8676209203
H    4.4096676881  -0.3892772891   0.1953516972
H   -2.7515173803   1.4798140095   2.8123816831
H    4.1542614972  -4.3591210641   1.4177087089
*