! 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   0.1684406190   1.0331313740   1.8558316727
Cl  -7.1653677765  -2.5978081755   1.0490675784
O    2.8736917653   0.1164305244   1.0632224047
O    3.4855418396   0.1908075832  -1.0906635230
O   -2.6745142516  -0.4761720709  -2.0514945676
N    4.0961433118   2.5615233378   0.3016084541
N    4.4590088173   2.6885502088   1.5793916605
N    6.2311520897   2.9359571081   0.2340412936
C    2.5642974473   0.6970583889  -0.1613599696
C    3.5502168937  -1.1108593112   0.8257620354
C    2.7515611643   2.2179043434  -0.0737859022
C    4.2814807993  -0.8125772364  -0.4776316757
C    1.1409653797   0.3836346339  -0.6186243958
C    2.6085736410  -2.2973700264   0.7537321554
C    0.0287425228   0.4998358499   0.2119841278
C    0.9042187113  -0.0187541858  -1.9308314643
C   -1.2550670477   0.2127768732  -0.2269601825
C   -0.3626560656  -0.3240286125  -2.3924692571
C   -1.4450182506  -0.2122019939  -1.5334750245
C    5.1631005735   2.7047377039  -0.4891330629
C    5.7435445293   2.9143943214   1.4905969415
C   -3.6827086119  -0.9648435157  -1.2675724813
C   -4.9494756783  -0.4372858630  -1.4651554071
C   -3.4824037928  -1.9965869783  -0.3596330993
C   -6.0271038303  -0.9443640634  -0.7567006609
C   -4.5572149736  -2.4943002536   0.3591211540
C   -5.8224264045  -1.9663390152   0.1559419627
H    4.2508477758  -1.2515267326   1.6506821610
H    2.0707712434   2.6601506463   0.6498188127
H    2.5350526392   2.6599584249  -1.0454335351
H    5.2920400745  -0.4335734266  -0.3005126061
H    4.3492928672  -1.6788837445  -1.1383248056
H    3.1874528420  -3.2203619816   0.6970483935
H    1.9531788002  -2.2644406533  -0.1178243972
H    1.9849372149  -2.3521914359   1.6465520415
H    1.7354423521  -0.1143610204  -2.6147419475
H   -2.0902952307   0.3303922017   0.4505437646
H   -0.5101136042  -0.6448162164  -3.4153987372
H    5.1104777104   2.6462240266  -1.5644983203
H    6.3542815637   3.0763037495   2.3653434535
H   -5.0986312231   0.3640449346  -2.1771527997
H   -2.5008415916  -2.4272108583  -0.2082784819
H   -7.0147105875  -0.5336727645  -0.9155085193
H   -4.4011357278  -3.2982274236   1.0652168542
*