! 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  -0.4258787212  -0.4556299264   2.7096096036
Cl   1.9665469683  -4.2324052763  -0.1884415681
O   -1.8397380933   1.2241231026   0.7195792815
O   -0.8288940296   1.6484026484  -1.2428837155
N    1.6607440057   2.1875520461   0.2606974558
N    2.5960242257   1.4254237106   0.8326856042
N    3.3812101065   2.3437351293  -1.0513441185
C   -0.6007592204   1.2284043894   0.0689795813
C   -2.8512366227   1.7495474454  -0.1397002082
C   -2.0326683155   2.3928063775  -1.2514526389
C   -3.8350152435   0.6761636357  -0.5770708898
C    0.3210675265   2.2392799467   0.7847052209
C    0.0250555788  -0.1564982273   0.0286102551
C   -3.2667623143  -0.5043239086  -1.3557258991
C    0.1440901919  -0.9644357873   1.1563312200
C    0.5447174363  -0.6475084940  -1.1650397655
C   -4.3577047276  -1.4956469168  -1.7350643266
C    0.7338157511  -2.2180716012   1.0986341372
C    1.1467301957  -1.8908829990  -1.2494210578
C    2.1391789250   2.7212513643  -0.8671876651
C    1.2304070879  -2.6705126242  -0.1104301676
C    3.6090269718   1.5510258021   0.0150990514
H   -3.4009598522   2.5129841214   0.4173929288
H   -2.4863161135   2.3130818662  -2.2394249021
H   -1.8438109572   3.4530083710  -1.0483558108
H   -4.6061621198   1.1742777124  -1.1745250250
H   -4.3477814426   0.3016014499   0.3147089336
H    0.3716054182   2.0388825949   1.8519921513
H   -0.0755878449   3.2481136192   0.6585076290
H   -2.5117085032  -1.0167319195  -0.7551120474
H   -2.7606656437  -0.1627417348  -2.2627884826
H    0.4801846458  -0.0515330629  -2.0633368671
H   -5.1120894758  -1.0349368346  -2.3763371785
H   -3.9498429166  -2.3527578596  -2.2725651657
H   -4.8703279133  -1.8785607326  -0.8500411014
H    0.8040583708  -2.8286481165   1.9879925885
H    1.5386679176  -2.2408506281  -2.1942328935
H    1.5635108794   3.3761581520  -1.5019683661
H    4.5509260176   1.0566843898   0.1964371897
*