! 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  -5.1589145468   1.4662975033   0.5079508156
F   -2.6453073573  -2.7972837951  -0.9380877699
F   -0.6937600051  -2.0777869363  -1.4731527636
F   -1.0260044073  -2.9562506727   0.4617477594
O    2.1467036997   1.5720290754  -1.4969569384
N    2.6057024564  -0.6723122690   0.2502221521
N    0.4012642290  -0.4831677616   0.7534601934
N    4.2060657350  -1.6262755989   1.4296204595
C    1.3274500437  -0.2010625083  -0.0563018812
C    1.1880582317   0.5710306047  -1.3532328794
C    1.9526449736   2.6847664422  -0.6424565795
C   -0.8972982132  -0.0080120272   0.6233159648
C    3.0992191935   3.6539737982  -0.8256488108
C   -1.9127697234  -0.8076826865   0.0855386250
C   -1.2303657704   1.2463295229   1.1294582972
C   -3.2225396328  -0.3491051590   0.0477486115
C    3.7140931616  -0.7415233662  -0.5726393712
C    4.4500433031   3.0821712851  -0.4228049128
C    2.9754148846  -1.2247355411   1.4479636060
C   -1.5737695127  -2.1601345651  -0.4614316354
C   -2.5337935165   1.7065754880   1.0927796862
C   -3.5237850779   0.9037979148   0.5509601802
C    4.6782109381  -1.3331315787   0.1722950063
H    0.1687362790   0.9680063094  -1.4202865455
H    1.3102841214  -0.1258907637  -2.1873276426
H    1.9071355472   2.3687813897   0.4101761452
H    0.9967763390   3.1726876714  -0.8743231048
H    3.1245404834   3.9964455337  -1.8638008741
H    2.8748429833   4.5352242343  -0.2194923045
H   -0.4574852575   1.8646193718   1.5670734542
H   -4.0106486397  -0.9587725055  -0.3712154605
H    3.7260152265  -0.3875024044  -1.5869923308
H    4.7400979245   2.2378294669  -1.0479116583
H    5.2331899603   3.8364404386  -0.5094763550
H    4.4406279106   2.7362514715   0.6128342037
H    2.2922084546  -1.2919087197   2.2786537811
H   -2.7690482633   2.6854649915   1.4876550416
H    5.6884683216  -1.5659463685  -0.1252514328
*