! 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  -2.2605123577   0.5184993057  -2.6617347782
Cl  -2.2772670302   5.0758513612   0.1265142343
F    3.0688349324  -1.9080969563  -0.0990101905
F    3.1549510422  -0.2108454096  -1.4308831440
F    3.2302449674  -0.2604817253   2.0756761516
F    3.2725185418   1.4857413487   0.7623989258
O    1.4531256835  -0.3715052433   0.0043586175
N   -0.7450338350  -2.9250849592   0.9439153327
N   -1.6333829193  -3.6891062993   0.3070448125
N    0.1163270946  -4.9151130255   0.9732056214
C   -0.8687920999  -0.7826903774  -0.2502146960
C   -0.9579209360  -1.5054482497   1.0972934227
C    0.4987279804  -0.9398240418  -0.8997775178
C   -1.2423048398   0.6759667410  -0.1423357787
C   -1.8678195665   1.3502046500  -1.1913262451
C   -0.9356560195   1.4291792215   0.9883401181
C    2.7508360363  -0.5894275867  -0.1928250977
C   -2.1926356291   2.6957847497  -1.1234412456
C   -1.2477373052   2.7743700945   1.0891621100
C    0.2946828082  -3.6668328004   1.3323489982
C   -1.8777144932   3.3973046900   0.0266891602
C    3.5765537528   0.1724401855   0.8427107086
C   -1.0774167030  -4.8728799500   0.3512623003
H   -1.5775394216  -1.2773890046  -0.9186127147
H   -0.2183721258  -1.1518198182   1.8129103889
H   -1.9415307483  -1.3505924649   1.5393636301
H    0.7140530302  -1.9932189657  -1.0933930106
H    0.5252959489  -0.4142141780  -1.8560773632
H   -0.4389176243   0.9670128096   1.8298106149
H   -2.6804944067   3.1845100292  -1.9552212445
H   -0.9942117456   3.3238849367   1.9848745320
H    1.1382348780  -3.2639739982   1.8704257939
H    4.6487439770   0.0352353636   0.6938328647
H   -1.5515609646  -5.7404615479  -0.0801599922
*