! 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  -4.9208999897  -0.7377471687  -0.1289227451
Cl   5.3106096022   1.3215374519   0.1249996100
F    1.6207045039  -2.0152829266   0.5681273188
O    4.1892494359  -1.3581361107   0.6659823403
O   -4.3248736551   2.1611362464  -0.6537744942
O   -3.1573067450   2.7431791633   1.1617772439
N   -1.3121018657   0.8936918258   0.1067681790
N   -2.8902643865  -2.8666522874  -0.6008520893
C    0.9375815419   0.1661021569  -0.0520537581
C   -0.5088308543  -0.1516877334  -0.0907979183
C    1.9314541207  -0.7510919110   0.2629577525
C   -1.0049571649  -1.4187455809  -0.3447473852
C    1.3562807693   1.4736706303  -0.3134491884
C   -2.3885598635  -1.6420674674  -0.3652825510
C    3.2821364627  -0.4226939935   0.3185251393
C   -2.6191942048   0.7141930637   0.0515791493
C    2.6869003272   1.8395808501  -0.2695382570
C   -3.2088596726  -0.5182859396  -0.1644570415
C    3.6462310742   0.8885623585   0.0406541202
C   -3.4022196976   1.9758336427   0.2695534501
C    4.7497696397  -2.0763559682  -0.4319219760
H   -0.3534586491  -2.2566521065  -0.5419158191
H    0.6133597649   2.2204948332  -0.5538953752
H    2.9762963115   2.8598491272  -0.4793733916
H   -2.2765703926  -3.6627950490  -0.5739258177
H   -3.8658778949  -3.0592043257  -0.4543420295
H    5.2877501596  -1.4149837747  -1.1150419258
H    3.9860587243  -2.6187818114  -0.9940928404
H    5.4521648795  -2.7943943421  -0.0131869226
H   -4.8088771704   2.9858615815  -0.4877032708
*