! 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  -2.5147580994  -3.4668772213   0.7514508703
F    0.8220409775   1.0791611283   0.8158226442
F    2.3349802491  -0.2242448152   1.6184787422
F    2.3707447578   1.8734096857   2.0703390736
F   -4.9715296983   1.6134151675   0.4194939157
F   -3.9076093022   1.3887899267   2.2718540352
F   -3.1810161449   2.7511331864   0.7715994323
O    3.5214251538  -2.1097982339  -0.6397357220
N    1.4493415289  -1.3427234003  -1.1065242718
N   -1.3445772264  -0.2694544424  -1.2523855744
C   -0.6327311280  -2.5420401825  -1.5660582486
C    0.7809225384  -2.6224891293  -0.9956054290
C   -1.4822572467  -1.5317560199  -0.8569660852
C    3.2593659532   0.2210204660  -1.0278061056
C    2.7575827643  -1.1894956986  -0.8862368206
C    2.9858690912   1.2392602288  -0.1117849569
C   -2.3530632697  -1.8446287924   0.1877360016
C   -2.9349503568   0.4540141174   0.3528494701
C   -3.0961122745  -0.8499858923   0.7936748811
C    4.0760153808   0.4907626584  -2.1193606805
C    3.5027013479   2.5134434392  -0.3183575895
C   -2.0345382610   0.6975130156  -0.6720680691
C    2.1316033795   0.9907601068   1.0968039204
C    4.5840278859   1.7633408377  -2.3249058488
C    4.2926480519   2.7766396101  -1.4255857731
C   -3.7461443642   1.5561006785   0.9556542053
H   -0.5807240610  -2.2651502299  -2.6204201982
H   -1.0727139253  -3.5365829209  -1.5180721052
H    0.7510194269  -2.9449099365   0.0488071446
H    1.3350327673  -3.3817080416  -1.5493333836
H    0.8947482874  -0.5405603242  -1.3709005959
H   -3.7795566941  -1.0974412265   1.5954469641
H    4.3069945464  -0.2992209849  -2.8224966286
H    3.3019697963   3.3119720790   0.3824258036
H   -1.8600103867   1.6971223578  -1.0498721487
H    5.2093895246   1.9601697237  -3.1854107135
H    4.6857165437   3.7726733184  -1.5773817530
*