! 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  -4.3863604689   2.1488471497  -0.3159012611
F   -2.0015780850  -1.8298230822   1.9257203750
F   -0.7626705629  -2.6835616073   0.3945803256
F    0.0710148535  -1.2862282173   1.7984026740
O    1.1677485163   1.3973339427   0.6225759102
N    2.8712927065  -1.3707870752  -0.9743989565
N    0.6979499189  -0.7375679832  -1.0847602009
N    3.8863084737  -3.0348316878  -2.0030424319
C    1.8314745618  -0.5153506377  -0.5883511475
C    2.2379491311   0.5499492666   0.3980623800
C    1.2339949109   2.1250565644   1.8317869560
C   -0.4726592766  -0.0339907043  -0.8521924678
C   -0.0546978491   2.8993291984   2.0052044757
C   -1.3724955819  -0.4226494325   0.1462881735
C   -0.8384896265   0.9954580285  -1.7165762418
C   -2.5746843260   0.2530566411   0.3101767685
C    4.1811292923  -1.3652358419  -0.5363270878
C   -0.2974850210   3.9405582351   0.9235990624
C    2.7613328107  -2.4078800643  -1.8593364819
C   -1.0207168396  -1.5519229102   1.0615953947
C   -2.0346547245   1.6667227148  -1.5586626944
C   -2.8930134142   1.2991368710  -0.5348203243
C    4.7815893727  -2.3945263027  -1.1821203682
H    3.1111034145   1.0872289261   0.0013342585
H    2.5740672363   0.0472941609   1.3169222867
H    2.0930150787   2.8107521103   1.8227857032
H    1.3791458012   1.4407574400   2.6782923103
H   -0.8911766052   2.1962038441   2.0429562699
H   -0.0128992058   3.3847742111   2.9837607870
H   -0.1648994816   1.2804552467  -2.5136521735
H   -3.2650658165  -0.0277454926   1.0930717653
H    4.5677158895  -0.6573578757   0.1761197194
H    0.4976532855   4.6893203588   0.9069471546
H   -0.3541442973   3.4885395534  -0.0661678524
H   -1.2383369658   4.4657599633   1.0936996594
H    1.8324727281  -2.6376200269  -2.3546592465
H   -2.2894172619   2.4765036880  -2.2290056662
H    5.8088410730  -2.7126788851  -1.1007937675
*