! 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  -5.0070390697   1.6466735144   0.3407107367
F   -1.0779088124  -2.9600598742   0.6085374325
F   -2.6823002254  -2.8100206510  -0.8091087289
F   -0.6989113839  -2.2063717247  -1.3697925608
O    2.2671577648   1.3258001662  -1.5652377165
N    2.6417679322  -0.8782731214   0.3009538688
N    0.4510145909  -0.5429592814   0.7872117541
N    4.1628217147  -1.9300875162   1.5034045540
C    1.3916232615  -0.3525477896  -0.0327741588
C    1.2867714523   0.3539066958  -1.3701526134
C    2.1151782013   2.4806016193  -0.7601659640
C   -0.8247191259  -0.0199347121   0.6182034315
C    3.1972962328   3.4728521166  -1.1269587842
C   -1.8690848605  -0.7998584220   0.1074665595
C   -1.1060352348   1.2732334817   1.0528963421
C   -3.1546872975  -0.2829551162   0.0213176120
C    3.7835894476  -0.9455430511  -0.4766588645
C    3.0894381989   4.7473073173  -0.3045908623
C    2.9442152796  -1.4938555022   1.4872136253
C   -1.5863815756  -2.1939653094  -0.3611499745
C   -2.3847850759   1.7920236745   0.9666760946
C   -3.4030034416   1.0087187918   0.4494167138
C    4.6983483172  -1.5934716901   0.2832199087
H    0.2787899800   0.7712379770  -1.4693867510
H    1.4015084014  -0.3898705506  -2.1635994160
H    2.1921340100   2.2279583564   0.3070058261
H    1.1220868045   2.9229964474  -0.9184469830
H    4.1764957680   3.0127467769  -0.9702903045
H    3.1234451318   3.7113899327  -2.1912637830
H   -0.3119288650   1.8772164891   1.4718611816
H   -3.9645474496  -0.8768675343  -0.3782566671
H    3.8536144906  -0.5422293345  -1.4697536012
H    3.8790212851   5.4500634615  -0.5712930038
H    2.1351274535   5.2518043635  -0.4672618918
H    3.1791068145   4.5459326124   0.7645084547
H    2.2228202108  -1.5816236253   2.2826526202
H   -2.5790151734   2.8010778427   1.3036681125
H    5.7153061166  -1.8384203051   0.0204948042
*