! 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  -3.5544832514  -2.9375934817  -1.4790566073
F    1.9552659278   1.0132230344   1.6087943972
F    3.5298743117  -0.4572627972   1.6427267031
F    3.9499914710   1.5844422263   2.1495719494
F   -5.1070751588   0.9807466285   1.9874126347
F   -3.5926307684   2.4846330385   1.7096005047
F   -4.9651584682   2.0240994388   0.1165654160
O    3.4047710285  -2.1959086767  -1.2042059176
N    1.4968886775  -1.2312259873  -0.4470434804
N   -1.1178120359  -0.4470335077   0.3635741393
C   -0.5913218470  -2.5288394717  -0.7635624590
C    0.7754636421  -2.4350362228  -0.1020191862
C   -1.5766854238  -1.4919935658  -0.3098880813
C    3.3206728656   0.1680322586  -1.1313848027
C    2.7501510199  -1.2065233167  -0.9090997194
C    3.5589476215   1.1059928249  -0.1226207628
C   -2.9458086612  -1.6000392321  -0.5772169656
C   -3.3070539861   0.4372419700   0.5903430254
C   -3.8214767733  -0.6384497767  -0.1219761392
C    3.6777111777   0.4777763894  -2.4392139218
C    4.1050803427   2.3442030958  -0.4440392358
C   -1.9418135065   0.4927462942   0.8027822773
C    3.2505475843   0.8097017557   1.3164427303
C    4.2167236077   1.7138917532  -2.7553869576
C    4.4244608028   2.6511931133  -1.7563699613
C   -4.2380096551   1.4872804476   1.1037932802
H   -0.4854344897  -2.4740564840  -1.8518672088
H   -0.9936973667  -3.5227947897  -0.5550441897
H    0.6682567794  -2.4988687627   0.9836394069
H    1.3674158223  -3.2924062579  -0.4141393518
H    1.0197656474  -0.3680485016  -0.2347859157
H   -4.8816092104  -0.7319060894  -0.3209490019
H    3.5192338342  -0.2528156071  -3.2218187797
H    4.2989582790   3.0790040314   0.3250606247
H   -1.4823193167   1.3111350097   1.3420579135
H    4.4764025933   1.9412091604  -3.7806631155
H    4.8471311360   3.6185986806  -1.9912948259
*