! 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  -1.4640240787   0.8685882159  -3.0941762696
Cl  -2.7858784062   3.5187456948   1.3541124833
F    2.5523975231  -0.2312095732   1.5237305258
F    3.9553687070  -1.2399813727   0.2329708439
F    4.7060565855   1.2747489034   0.9376798977
F    2.8723336564   2.0959211721   0.0800257192
O    2.0895650466  -0.3967105173  -0.6573921710
N   -1.5995095980  -2.7664872523  -0.1031726757
N   -0.8845553602  -3.3775495534   0.8445145411
N   -2.9692746776  -2.9982168801   1.5638871798
C   -0.0578154635  -1.1851410435  -1.2646632246
C   -1.0125905507  -2.3826893010  -1.3636964373
C    1.2582947445  -1.5645179253  -0.6014394934
C   -0.7307695436   0.0009192484  -0.6202990843
C   -1.3917678867   0.9762813358  -1.3636530727
C   -0.7542500106   0.1495324608   0.7647232827
C    3.0428530491  -0.2335559342   0.2586224550
C   -2.0240137964   2.0610345083  -0.7743604833
C   -1.3822970877   1.2139356315   1.3860409475
C   -2.8373993615  -2.5403645972   0.3408570646
C   -2.0079433904   2.1695079772   0.6042965224
C    3.7642329461   1.0859269797  -0.0137865791
C   -1.7457465405  -3.4968217102   1.8240554704
H    0.1842112305  -0.9388553633  -2.3009738354
H   -1.8300027945  -2.1386886921  -2.0408604007
H   -0.4946850796  -3.2454448784  -1.7835122952
H    1.1273401759  -1.9160968887   0.4217134620
H    1.7280688659  -2.3703208688  -1.1695847155
H   -0.2717820918  -0.5846015103   1.3957186966
H   -2.5178421902   2.8054454707  -1.3833871194
H   -1.3759055587   1.2931506266   2.4641453605
H   -3.5955568685  -2.0547858797  -0.2535544551
H    4.2328164173   1.1018566861  -0.9984293037
H   -1.4816430446  -3.9650745252   2.7596062478
*