! 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  -0.9606412232   1.2236920020  -2.7366635112
Cl  -4.9468487639   2.8401584894   0.4299123300
F    3.3187658279   0.8093390708  -0.3894248469
F    3.8370094645   0.4659392754   1.6763981634
F    5.7044519036  -0.4244587696  -0.0711065784
F    4.2305629158  -1.7028789520  -1.0525578044
O    2.3293691481  -0.8669462282   0.7134342587
N   -0.9763303305  -2.3195552605   0.1376942625
N   -0.5292107598  -2.8646720532   1.2720590630
N   -2.7434172652  -3.1368265720   1.0961099496
C    0.2289597394  -0.1824858750  -0.2727562433
C   -0.0988005826  -1.6049956050  -0.7559740659
C    1.1078640449  -0.1556284583   0.9740977757
C   -1.0412407889   0.6090730342  -0.0865525288
C   -1.6642488919   1.2598456003  -1.1524203218
C   -1.6896334506   0.6697896228   1.1454722154
C    3.4540119179  -0.1708332684   0.5393874694
C   -2.8583076568   1.9476596632  -1.0090055756
C   -2.8832956085   1.3492345906   1.3225803984
C   -2.2985565068  -2.4837905869   0.0499374812
C   -3.4584295613   1.9859476824   0.2376319346
C    4.5688246660  -1.1303933046   0.1232782896
C   -1.6214513392  -3.3428343251   1.8124242443
H    0.8058183985   0.2749195182  -1.0791506516
H   -0.5905471233  -1.5547489035  -1.7264668681
H    0.8106988104  -2.1881383778  -0.8918854471
H    1.2967184749   0.8759099701   1.2775564997
H    0.6553557045  -0.6684491611   1.8199081207
H   -1.2645721293   0.1751774463   2.0085787342
H   -3.3107877241   2.4423329462  -1.8571134274
H   -3.3542119707   1.3728253287   2.2953715368
H   -2.8818327742  -2.1241571590  -0.7835771646
H    4.7436201064  -1.9049215579   0.8711046658
H   -1.6086306788  -3.8653299920   2.7563585780
*