! 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  -4.8890082473   1.7935029005  -0.0826813974
F   -2.7754566262  -2.7800306611   1.0312026581
F   -1.3198008999  -3.0453781979  -0.5234985419
F   -0.7101959794  -2.3296700709   1.4119668112
O    2.2534986307   1.7342260197   0.5210901395
N    2.6373182756  -1.0244163911  -0.4652352918
N    0.4009773445  -0.7295826071  -0.7021373714
N    4.7759878293  -1.5533773912  -0.5513911784
C    1.4534616285  -0.3876890341  -0.0956775310
C    1.5604479036   0.6243868075   1.0158146668
C    2.4835520838   2.7183889721   1.5119492487
C   -0.8222986425  -0.1102300900  -0.4901514149
C    3.2002159477   3.8968351084   0.8913100774
C   -1.8967214290  -0.8333701312   0.0414527794
C   -1.0328154370   1.2076307265  -0.8902479057
C   -3.1447164404  -0.2429228094   0.1735529590
C    2.7551371575  -2.0303981441  -1.4033087945
C    2.4055760296   4.5886829981  -0.2059816947
C    3.8995514788  -0.7825797251   0.0091640398
C   -1.6780044825  -2.2467977529   0.4872835580
C   -2.2781807378   1.7971539544  -0.7681269919
C   -3.3272335331   1.0665073933  -0.2368908101
C    4.0734923808  -2.3385448531  -1.4347693104
H    2.0709092683   0.1653374766   1.8742615697
H    0.5554878230   0.8909586506   1.3610812341
H    3.0850170091   2.2971064589   2.3287839538
H    1.5301908297   3.0443839302   1.9508260132
H    3.4099624532   4.6040498978   1.6977930802
H    4.1724886543   3.5729581794   0.5094868618
H   -0.2137329902   1.7719981152  -1.3168433250
H   -3.9764464169  -0.7917718035   0.5923721069
H    1.9064870763  -2.4236398190  -1.9343426651
H    2.9409704113   5.4614173448  -0.5817828615
H    2.2213979003   3.9293976187  -1.0544847536
H    1.4370819230   4.9330992541   0.1629148998
H    4.1147357280  -0.0318358361   0.7514093243
H   -2.4224222398   2.8204962930  -1.0869828913
H    4.5619893967  -3.0846503819  -2.0414483742
*