! 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  -6.7925347609   0.4574243003   0.2668501841
F    2.8256648557  -2.9725815122   0.9996964846
F    4.1761071673  -1.7724474046  -0.1254925507
F    3.4134468674  -1.0808664107   1.7846568496
O    4.0930081804   0.8855071203   0.0526735937
O   -1.5701245245  -2.1061672374  -0.4284464674
N    1.7604502371   2.7228420432   0.2283991503
N    2.1598019691   2.3760224171   1.4557020329
N    0.0220123457   3.0179668861   1.4918754536
C    3.1427607418   1.0527529861  -0.9646920529
C    1.9588599989   0.0830786945  -0.8432581051
C    2.6318163342   2.5145965219  -0.9047141617
C    3.8574573665   0.8472229328  -2.2952656707
C    1.9061790721  -1.0852936839  -0.0659174261
C    0.8120964854   0.4044826872  -1.5715124520
C    0.7042856458  -1.7815053722   0.0649412124
C   -0.3696640345  -0.3009405127  -1.4771546898
C   -0.4314102572  -1.3751184938  -0.6070373402
C    3.0893006611  -1.7035435596   0.6450681385
C    0.4809391906   3.0931033227   0.2635792584
C    1.0861371913   2.5696121280   2.1810627739
C   -2.7605250493  -1.4564272334  -0.2620825778
C   -3.8948913153  -2.0886533749  -0.7510586946
C   -2.8659875309  -0.2413636171   0.4051772125
C   -5.1398583242  -1.5052458896  -0.5799524114
C   -4.1103036236   0.3478118289   0.5651492384
C   -5.2394119031  -0.2850737700   0.0701914198
H    3.4972896051   3.1737178271  -0.8200562810
H    2.0911452130   2.8133709746  -1.7994898483
H    3.1690064399   0.9395822192  -3.1347045100
H    4.6512854298   1.5851138760  -2.4267177371
H    4.3061466931  -0.1446632515  -2.3414633579
H    0.8244076758   1.2481536736  -2.2482318903
H    0.6319864293  -2.6587684607   0.6922132474
H    3.7238834156   1.2465680232   0.8746720842
H   -1.2268044279   0.0024360722  -2.0644490138
H   -0.0635739277   3.4101287010  -0.6119870964
H    1.0741439747   2.3827863769   3.2435008209
H   -3.8078786220  -3.0382842990  -1.2636893220
H   -1.9936531847   0.2583049071   0.8075021767
H   -6.0214533069  -2.0012284909  -0.9626482439
H   -4.1899088267   1.2953222313   1.0809531881
*