! 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  -2.0798184220  -3.4105113580  -0.5519487578
F    1.8867079605   0.7767931736  -2.5004728188
F    0.5215979139  -0.0061147524  -1.0338294876
F    0.5684208300   2.0977159588  -1.4362554772
F   -4.3741836167   1.6696183070  -0.3506498453
F   -2.5816755673   2.8241728743  -0.0653511837
F   -2.8549916601   1.6798539439  -1.8681662232
O    2.6474864804  -1.9015531863  -0.6342872297
N    1.6722563053  -1.7091679237   1.4053378953
N   -1.0798891021  -0.4354409823   1.8430002545
C   -0.4515102787  -2.7521682701   2.0097768489
C    0.9420485957  -2.9565409011   1.4098578083
C   -1.1947159098  -1.6503300588   1.3188631421
C    2.8615316363   0.1588613083   0.5400412437
C    2.3811228109  -1.2543105491   0.3645218751
C    2.3901939399   1.2131684912  -0.2440871040
C   -1.9340068187  -1.8407242324   0.1499451028
C   -2.3999304759   0.4865513710   0.0976363888
C   -2.5486095155  -0.7704081224  -0.4677852838
C    3.8347889229   0.4084035432   1.5004642283
C    2.9077097284   2.4913431858  -0.0674516381
C   -1.6523988608   0.6036042000   1.2576983049
C    1.3429497148   1.0139800062  -1.3006620765
C    4.3504215610   1.6838919810   1.6705892034
C    3.8870430360   2.7259143235   0.8842407976
C   -3.0485161521   1.6698246607  -0.5449390213
H   -0.9906947497  -3.6981503329   1.9621210015
H   -0.3575212557  -2.4885746753   3.0644671434
H    1.4691922351  -3.7171816604   1.9899570369
H    0.8729761054  -3.3237257567   0.3865556404
H    1.4985673146  -1.0748002295   2.1703599818
H   -3.1222340148  -0.9215741315  -1.3731104305
H    4.2021904413  -0.4046484867   2.1135124686
H    2.5479783778   3.3188189665  -0.6641272021
H   -1.5057735665   1.5606615924   1.7425998313
H    5.1117790233   1.8609396517   2.4183769207
H    4.2804220635   3.7251871523   1.0119373418
*