! 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  -0.4200439334   0.5408857522  -2.2060819676
F    5.2234538054  -0.8701679905  -0.1003005087
O   -0.3276311444  -0.0515366085   2.3170418878
N   -3.3524432473  -2.0863854861   0.6328689784
N   -1.7683731654  -3.0115667860  -0.8470113064
C   -0.2464315324   0.0032814333   0.9074716964
C    1.2137463200  -0.2240434993   0.5310884224
C   -0.8140253565   1.3314040405   0.3857980170
C   -1.1909523609  -1.0999280525   0.4462875644
C    2.0167563323   0.7704569463  -0.0138655220
C    1.8101287733  -1.4340353160   0.8901603940
C   -0.9553469642   1.6347158955  -0.9707432786
C   -1.2774716979   2.2826393147   1.2919703814
C   -2.4733934257  -1.1585438885   0.9802996414
C   -0.8953135933  -2.0765112611  -0.4914409690
C    3.3718373070   0.5617337000  -0.2310031947
C    3.1571259887  -1.6656677980   0.6724965906
C   -1.5206657243   2.8255370664  -1.4015579156
C   -1.8427628739   3.4786006663   0.8761926903
C    3.9163847975  -0.6575430896   0.1102309671
C   -1.9668423402   3.7528535623  -0.4748872879
C   -2.9538350994  -2.9726408624  -0.2661392015
H    1.6061719885   1.7378403983  -0.2690911268
H    1.2237812287  -2.2178775337   1.3532546603
H   -1.2107942734   2.0860274228   2.3522284317
H    0.3692399228   0.4991545475   2.6947657058
H   -2.8102501129  -0.4297103013   1.7095039128
H    0.0712750061  -2.1196869237  -0.9777686797
H    3.9892279648   1.3419922914  -0.6567254270
H    3.6084983324  -2.6106353539   0.9454320734
H   -1.6127470769   3.0248051451  -2.4607887802
H   -2.1898269784   4.1895445970   1.6141431411
H   -2.4090219606   4.6799333936  -0.8145187551
H   -3.6677156116  -3.7361116390  -0.5521771008
*