! 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  -4.4646697489   2.0523931046  -0.2916074725
F   -1.9835414242  -1.7677944142   2.1001984642
F   -0.9786740066  -2.7216940613   0.4602508465
F    0.1126126528  -1.4390497489   1.7955706970
O    1.4176790143   2.0022560569  -0.1424290662
N    2.8921535541  -1.2103396706  -1.1357442083
N    0.6995265411  -0.7249900055  -0.8773866669
N    3.8279018333  -3.1600690790  -1.5648272743
C    1.8773272685  -0.2803555927  -0.8641638823
C    2.3870855949   1.1225400748  -0.5946891011
C    1.1838061449   1.9616886603   1.2547933180
C   -0.4778557478  -0.0182723949  -0.7220490369
C    0.0229546860   2.8745825568   1.5834352482
C   -1.3842172607  -0.4145344076   0.2702183424
C   -0.8612267703   0.9859907400  -1.6109914634
C   -2.6065447290   0.2319768336   0.4086126175
C    4.2437651123  -0.9740559730  -1.2937606929
C   -0.3242048402   2.8228438350   3.0625169070
C    2.7097787320  -2.5538996019  -1.3156946717
C   -1.0561746051  -1.5799416937   1.1550761378
C   -2.0841533986   1.6144288931  -1.4917006995
C   -2.9436696137   1.2460613574  -0.4677796710
C    4.7933684039  -2.1842036791  -1.5607267782
H    2.7913710793   1.5156139014  -1.5335302335
H    3.2289450821   1.0546365849   0.1068714460
H    2.0874314851   2.2803230505   1.7923614408
H    0.9631186967   0.9412724334   1.5889385302
H    0.2698339496   3.8989395539   1.2923392389
H   -0.8470684733   2.5772716982   0.9934154726
H   -0.1951449084   1.2715188203  -2.4136653543
H   -3.3013749994  -0.0534420225   1.1856313978
H    4.6910089011   0.0014046731  -1.2206029172
H   -0.6276012948   1.8189146855   3.3652598250
H    0.5210725929   3.1157818743   3.6875887918
H   -1.1500162763   3.4960884103   3.2920837390
H    1.7371500447  -3.0101677329  -1.2361581461
H   -2.3571953648   2.3947923112  -2.1886909369
H    5.8315344795  -2.4075657707  -1.7486041873
*