! 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  -1.2317155011   0.8780305348  -3.0010496558
Cl  -3.5852250168   3.4113398027   1.0733622240
F    3.2780612939  -0.5178459074   1.8185164497
F    4.0484895569  -1.0136717682  -0.1345056501
F    3.9433861642   1.6441124518  -0.8641242516
F    5.1512763244   1.2187263667   0.9056631852
O    2.0299557205  -0.0704197533   0.0184294585
N   -1.5678005035  -2.6673508890  -0.0365155462
N   -1.0029867816  -3.2159649889   1.0412293247
N   -3.2130589053  -3.0294487966   1.3292328412
C    0.0538860811  -0.9791102254  -0.9021236320
C   -0.7839993741  -2.2373306908  -1.1679933734
C    1.2456966086  -1.2734957651  -0.0067793773
C   -0.8194942204   0.1489074469  -0.4111213314
C   -1.4604918993   1.0237912004  -1.2870542275
C   -1.0833880920   0.3196903831   0.9462754787
C    3.2643327725  -0.1205797008   0.5199836716
C   -2.3064787434   2.0309351334  -0.8483382314
C   -1.9291582690   1.3084796180   1.4183435606
C   -2.8838331095  -2.5540083124   0.1516712760
C   -2.5318755012   2.1616444487   0.5102911012
C    3.8854554043   1.2733794607   0.4346823867
C   -2.0266555915  -3.4155425404   1.8333344847
H    0.4699629565  -0.7141068004  -1.8768476197
H   -1.4780927856  -2.0425276513  -1.9841806366
H   -0.1395714796  -3.0590911627  -1.4812758934
H    0.9646050764  -1.5587130872   1.0071894992
H    1.8129448621  -2.0986236761  -0.4427254506
H   -0.6212710394  -0.3356691869   1.6730947919
H   -2.7803383557   2.6967957456  -1.5564366309
H   -2.1101572810   1.4069148558   2.4798595862
H   -3.5476141571  -2.1327455594  -0.5875997035
H    3.3158446356   2.0111683896   1.0006981477
H   -1.9128334287  -3.8653661236   2.8077944720
*