! 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  -5.3196297122   1.1888104864  -0.5467300362
F   -0.8159733305  -2.6824219666   0.5233158244
F   -0.1897224146  -1.0415673879   1.7661210622
F   -2.1286457599  -1.9215314758   2.0407220556
O    2.3501813390   2.0190192925   0.2723148774
N    2.5475954229  -0.4085481609  -1.1962619173
N    0.2921682190  -0.5464176615  -1.0552618705
N    4.6716043113  -0.6767272508  -1.7261645860
C    1.3106551940   0.1949090940  -0.9616184318
C    1.3225027482   1.6690944521  -0.6017940567
C    2.2093812968   1.4955436709   1.5816492875
C   -1.0051009429  -0.0828331166  -0.8981638443
C    3.3699212110   1.9772957207   2.4250516392
C   -1.8162768280  -0.5878003315   0.1266120655
C   -1.5646567004   0.8040895929  -1.8158142923
C   -3.1396618572  -0.1871453053   0.2375980349
C    2.7588247157  -1.7697646744  -1.3028921500
C    3.2767271595   1.4553569052   3.8504658256
C    3.7490485405   0.1946662441  -1.4676667744
C   -1.2399434841  -1.5587000783   1.1117399255
C   -2.8863022818   1.1983944705  -1.7147770098
C   -3.6655274453   0.7018281721  -0.6843148113
C    4.0679259870  -1.9073435945  -1.6188680019
H    0.3394366476   1.9303823790  -0.1923703467
H    1.4530235572   2.2586104034  -1.5134664040
H    2.2005148602   0.3975587103   1.5657850193
H    1.2552759713   1.8224529352   2.0170301872
H    4.3070797725   1.6455325081   1.9701452908
H    3.3869324688   3.0702744256   2.4306379055
H   -0.9611111174   1.1762179710  -2.6335359116
H   -3.7676446070  -0.5621913500   1.0332849930
H    1.9748787521  -2.4865486529  -1.1337054239
H    3.2650505009   0.3641174948   3.8795595465
H    4.1289607524   1.7873226845   4.4435799453
H    2.3730894746   1.8092824800   4.3499932594
H    3.8841768365   1.2626833807  -1.4728812902
H   -3.2984388827   1.8875304166  -2.4391092138
H    4.6155848556  -2.8232179680  -1.7758798119
*