! 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  -0.0095825372   3.0226926813   1.8995188449
Cl   0.9120390772   4.6672931280  -0.6222970298
F    5.1690995892  -3.2578061635  -0.2298547658
F   -1.6549367869  -0.0416724563   2.4366356735
F   -2.2638964848  -2.1252621135   2.2418330049
O   -0.2632057029  -0.8839791738  -1.9199390050
N   -0.1133937889  -1.7652970427   0.1528277305
N   -4.1972573875  -0.0415646021  -1.0322360018
N   -4.1792057488  -0.1862357607   0.2846593548
C    2.2325637683  -1.1540268877  -0.1646242873
C    1.2455899795  -2.1223157358   0.0548516798
C   -2.1788880613  -0.7530092886  -0.5799835250
C    1.9084031978   0.2836538403  -0.2682276494
C   -2.9727114846  -0.6196080419   0.5843870606
C   -0.7827509277  -1.1364480239  -0.8459147103
C   -3.0279925578  -0.3573237003  -1.5940153198
C    3.5594956871  -1.5586486170  -0.2782254865
C    1.6030239233  -3.4574319907   0.1948499450
C    1.1916290952   0.9199532538   0.7385236163
C    2.3251842363   1.0231435183  -1.3705815079
C    3.8825133685  -2.8919951017  -0.1335228370
C    2.9274883744  -3.8553084816   0.1166872700
C   -2.6767415094  -0.8361502537   2.0213356763
C   -5.3733204867   0.4722152240  -1.6982789269
C    0.8824551049   2.2663787207   0.6356657639
C    2.0242751559   2.3692184067  -1.4727651617
C    1.2943560041   2.9952756720  -0.4743065405
H   -0.6361093140  -2.1687335867   0.9139139583
H   -2.8665826329  -0.2908923118  -2.6578240291
H    4.3413184320  -0.8285182350  -0.4456933718
H    0.8331241281  -4.2005450549   0.3588002117
H    0.8774534941   0.3729469271   1.6157869978
H    2.8738738273   0.5447505678  -2.1711130261
H   -3.5500691149  -0.6477294605   2.6456566039
H    3.2027384339  -4.8952239456   0.2310042674
H   -6.2174291064   0.3940032238  -1.0205241681
H   -5.2304569205   1.5151250224  -1.9753166597
H   -5.5791523469  -0.1121394335  -2.5913678422
H    2.3463015020   2.9328120125  -2.3377205970
*