! 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  -1.8138485328   0.2524346502  -2.8904014901
Cl  -3.1850139564   3.6359966022   1.0101003195
F    3.9210029515  -1.3342151286  -0.1881987522
F    3.9558469537   0.4825542116  -1.3552619165
F    3.4007480806   0.1388611005   2.0930262344
F    3.5034661867   1.9709316665   0.9066559576
O    2.0889323848  -0.0609255735  -0.2595627831
N   -1.1117019838  -2.6656667935   0.6854177490
N   -2.0704142603  -3.0266308271  -0.1667984229
N   -2.7900044020  -3.2153431681   1.9435461332
C    0.0332041741  -1.1236660424  -0.8421699153
C    0.1774716133  -2.2230129173   0.2095942997
C    1.3977512724  -0.6868818197  -1.3495848286
C   -0.7869593370   0.0549227334  -0.3772107364
C   -1.6453080396   0.7409031693  -1.2347149157
C   -0.6893687905   0.5376443885   0.9260444831
C    3.4187985346  -0.0716900603  -0.2390837223
C   -2.3872566993   1.8383526901  -0.8248246683
C   -1.4159586916   1.6293888600   1.3683112209
C   -1.5522338606  -2.7810909188   1.9392464308
C   -2.2646572166   2.2709718491   0.4831495524
C    3.9323792510   0.6924236610   0.9804763878
C   -3.0575452929  -3.3468931416   0.6302790108
H   -0.4585138429  -1.5803062850  -1.7028964842
H    0.7035854379  -3.0707284183  -0.2329249781
H    0.7546994383  -1.9065444674   1.0767946939
H    1.9448109307  -1.5533513004  -1.7278427611
H    1.2870611298   0.0280223809  -2.1666600084
H   -0.0245206045   0.0590595541   1.6319698555
H   -3.0465142849   2.3439839579  -1.5166406163
H   -1.3146472723   1.9716023614   2.3887321623
H   -0.9466643198  -2.5446799206   2.8003305070
H    5.0213040422   0.6743627924   1.0473665743
H   -4.0079779836  -3.6883454615   0.2502577006
*