! 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  -4.4545290095   1.8974941390   0.8788889197
F   -1.9414677574  -1.1699811126  -2.4121599206
F    0.1205800495  -0.7074057578  -2.0331987833
F   -0.7620463532  -2.4704451662  -1.1772706310
O    1.1554785295   1.5028662078   0.0544341191
N    2.8159477930  -1.6514156189   0.6818857006
N    0.6338821076  -1.0833473877   0.8874766260
N    4.8143337855  -2.5780482920   0.5741461387
C    1.7859841456  -0.7125334028   0.5476340810
C    2.2167870366   0.6173308046  -0.0202333968
C    1.2552048013   2.6151948898  -0.8086570647
C   -0.5327114619  -0.3363573154   0.8430798930
C   -0.0009685742   3.4486587732  -0.6712705737
C   -1.3954643112  -0.3970477617  -0.2564127205
C   -0.9329616316   0.3840075991   1.9667410020
C   -2.6003468567   0.2946462974  -0.2439072757
C    2.6802640755  -2.9343020542   1.1703065924
C    0.0354472181   4.6653049101  -1.5828933448
C    4.1319015590  -1.5024842781   0.3376805941
C   -0.9994524093  -1.1848121405  -1.4645757184
C   -2.1292440128   1.0716712676   1.9827049648
C   -2.9555196961   1.0296798795   0.8704931747
C    3.9179153765  -3.4803279311   1.0940062293
H    2.5532904971   0.4513539842  -1.0540568409
H    3.0894220274   0.9830940693   0.5383891315
H    1.3768348655   2.2801511541  -1.8482615395
H    2.1403120209   3.2177293917  -0.5612512166
H   -0.8701253002   2.8292062466  -0.9071456342
H   -0.1141483237   3.7664316675   0.3683764341
H   -0.2871010007   0.4125159153   2.8339978464
H   -3.2637022242   0.2665093778  -1.0969689299
H    1.7383964875  -3.3211166826   1.5162485921
H    0.8743553138   5.3218640378  -1.3443366767
H    0.1285404420   4.3787733200  -2.6321288011
H   -0.8768455336   5.2540229687  -1.4857709083
H    4.5298204658  -0.5916736623  -0.0797563551
H   -2.4117177731   1.6384952785   2.8595549612
H    4.2190390875  -4.4734946649   1.3875026135
*