! 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   0.7875414049  -1.4496573836   2.4939739293
Cl   4.5038083524  -1.5209740783  -1.3211482034
O   -1.9073613296   0.0567080161  -0.7928906547
O   -1.7915184736  -1.2114689459   1.0550976445
N   -0.5755746563   2.1992422184   0.6005973896
N   -1.2790878859   2.9815881233  -0.2209058945
N    0.8566777145   3.6502588911  -0.1413240090
C   -1.1536272177  -0.1863697245   0.3576937368
C   -2.9961203138  -0.8630138956  -0.8620493858
C   -2.5482503269  -1.9454209227   0.1071123387
C   -1.1658469005   1.0621713151   1.2559171575
C    0.2714534316  -0.5641564616  -0.0466969811
C   -4.3085866178  -0.1959459472  -0.4830849606
C   -4.5992190689   1.0599988230  -1.2894535958
C    1.1933657705  -1.1151270214   0.8426025418
C    0.7146172906  -0.3090495476  -1.3414323041
C    2.4926798444  -1.4147216644   0.4600657425
C    2.0060752788  -0.5948489889  -1.7498614683
C    0.6969110852   2.6065130960   0.6336349923
C    2.8865541840  -1.1507141328  -0.8395581667
C   -0.3820898652   3.8356690494  -0.6399637059
H   -3.0515070745  -1.2372039784  -1.8879422132
H   -3.3695557949  -2.4401118472   0.6252974377
H   -1.9363080906  -2.7087805051  -0.3861075447
H   -0.6225928528   0.8770599290   2.1811481374
H   -2.1936849342   1.3099879042   1.5181513163
H   -4.3141794534   0.0377009797   0.5863308316
H   -5.1045288385  -0.9296068462  -0.6396068084
H   -3.8524266856   1.8336888443  -1.1088081071
H   -4.6154863419   0.8533143344  -2.3617717430
H   -5.5728833026   1.4727696657  -1.0230288093
H    0.0353589695   0.1273801221  -2.0593645987
H    3.1837673623  -1.8473071957   1.1701836946
H    2.3137652916  -0.3825253544  -2.7642276644
H    1.4536319520   2.1274874573   1.2358643979
H   -0.6318088183   4.6315275570  -1.3245601961
*