! 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  -0.7349180297   0.8429499354  -2.4696976039
Cl  -4.8889531551   2.8831336075   0.1974274242
F    2.9263200243  -1.3199435488  -0.8751135027
F    3.2284854142   0.7659042097  -1.3415481042
F    4.9923588737  -1.2174762807   0.9502736470
F    5.3138581706   0.8839048227   0.4415842931
O    2.6827880946   0.1932565178   0.7533421573
N   -0.9069210377  -2.2832065100   0.8914134181
N   -1.1393840391  -2.7315195169  -0.3421476287
N   -2.7670574959  -3.3858425000   1.0479355663
C    0.2762958376  -0.2354307066   0.2466184616
C    0.2354308455  -1.4489215853   1.1776079879
C    1.3673200535   0.7540524531   0.6564387022
C   -1.0256199930   0.5283571268   0.2185411825
C   -1.5566217558   1.0527874577  -0.9587554219
C   -1.7294850646   0.7833662921   1.3933086074
C    3.3607262396  -0.1416662889  -0.3467831198
C   -2.7406064367   1.7741396440  -0.9795289125
C   -2.9133452214   1.5000013338   1.4072953911
C   -1.8850949009  -2.6753381905   1.7097375844
C   -3.4117682417   1.9869669072   0.2113085202
C    4.8489128975  -0.2950579580  -0.0273420084
C   -2.2639985712  -3.3872562792  -0.2011003452
H    0.4753046420  -0.6039518932  -0.7594289515
H    1.1425795541  -2.0404743684   1.0628782765
H    0.1765368972  -1.1598031838   2.2265256740
H    1.3684050692   1.6134105674  -0.0162706578
H    1.1704202125   1.1309837337   1.6599162637
H   -1.3477599342   0.4194631627   2.3388100471
H   -3.1282644779   2.1625541430  -1.9110618243
H   -3.4341649366   1.6728068284   2.3388098149
H   -1.9091152128  -2.4299208677   2.7601740112
H    5.4274847272  -0.5943951202  -0.9024361181
H   -2.7398477584  -3.8849241289  -1.0318661983
*