! 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  -4.9532746354   1.6431738061  -0.6107624117
F   -0.9598173013  -2.7606711081   0.3542167585
F   -0.2219326844  -1.3064125638   1.7586790167
F   -2.2596779350  -1.9713574750   1.8673608850
O    2.7077692499   1.6430971862   0.5196531454
N    2.7286732013  -0.7562425863  -1.0319911351
N    0.4703809065  -0.6375081058  -0.9658620415
N    4.8337765540  -1.2607803930  -1.4510296846
C    1.5619845215  -0.0148170002  -0.8364655978
C    1.7415911817   1.4454521355  -0.4686112997
C    2.3779162996   1.1373784048   1.8045511342
C   -0.7771088036  -0.0471512814  -0.8502013929
C    1.2777654946   1.9080054606   2.5143306491
C   -1.6957766668  -0.5401779600   0.0874007900
C   -1.1914285798   0.9577685684  -1.7225283226
C   -2.9748698285  -0.0109996496   0.1647628096
C    2.7847620310  -2.1292836021  -1.1718995359
C    1.5800907045   3.3909215718   2.6651376181
C    4.0059250121  -0.2932659263  -1.2146131776
C   -1.2849133937  -1.6439425603   1.0141885295
C   -2.4703575124   1.4799840218  -1.6562973836
C   -3.3530041858   0.9958139671  -0.7070110434
C    4.0847105370  -2.4131617972  -1.4203369253
H    0.7670276948   1.8564300563  -0.1892662046
H    2.0667734052   1.9970295106  -1.3545832076
H    3.3024186748   1.2047739271   2.3810947097
H    2.1211008506   0.0721289878   1.7530544363
H    0.3143235383   1.7707020776   2.0150038669
H    1.1631860145   1.4493037646   3.5002451876
H   -0.5093925524   1.3219110824  -2.4799393343
H   -3.6830748938  -0.3770889427   0.8944253692
H    1.9133871345  -2.7515709351  -1.0723445239
H    1.6488669826   3.8942983182   1.7003091417
H    0.7997582518   3.8926472096   3.2374144717
H    2.5246686647   3.5516619363   3.1891327115
H    4.2666139527   0.7508300646  -1.1720188768
H   -2.7690208411   2.2582429428  -2.3451308957
H    4.5287700735  -3.3832704912  -1.5804621283
*