! 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  -0.5516307672  -0.7172849279  -1.6298675214
Cl   4.7528048615  -0.4748718376  -1.4464957487
O   -1.5441148789  -0.3786090825   1.0545205889
O   -0.3136942427   0.3901864596   2.7300094385
N   -1.3003234851   2.2098276425  -0.2769894466
N   -0.3658656826   2.6522866967  -1.1214069049
N   -2.3104258008   2.3540822488  -2.1898196455
C   -0.5248470587   0.5100117491   1.3487090042
C   -1.3106133936  -1.5347153378   1.8489488145
C   -0.6186959952  -0.9501710069   3.0913631296
C   -2.6194603913  -2.2382820285   2.1338163280
C   -1.0079931137   1.9424434530   1.1046651078
C    0.7723220052   0.2068975707   0.5934467609
C   -3.3463362716  -2.7600064564   0.8973637346
C    0.8473712000  -0.3095604304  -0.6987337721
C    1.9769288409   0.5150393501   1.2225474658
C   -2.5796566505  -3.8255039412   0.1270262251
C    2.0671039593  -0.5247423083  -1.3267452272
C    3.2046860278   0.3176457597   0.6177022537
C   -2.4529827414   2.0309085600  -0.9290617533
C    3.2360654968  -0.2083826578  -0.6615822280
C   -1.0146592604   2.7222719793  -2.2543664433
H   -0.6226609440  -2.2094885675   1.3246205335
H   -1.2727930946  -0.9320087860   3.9664431681
H    0.2875363372  -1.5038577368   3.3488158205
H   -3.2718170574  -1.5553523358   2.6869588260
H   -2.4046015709  -3.0728725979   2.8090033009
H   -0.2526827834   2.6524338247   1.4389773435
H   -1.9124967281   2.1109418639   1.6897203764
H   -3.5874207808  -1.9273321630   0.2313850642
H   -4.3050351855  -3.1736911472   1.2210797470
H    1.9610920817   0.9230367298   2.2236944203
H   -2.2979924189  -4.6604407530   0.7722661703
H   -3.1863066197  -4.2305923984  -0.6842314897
H   -1.6674733176  -3.4326825637  -0.3240774139
H    2.0967745368  -0.9317957935  -2.3277336896
H    4.1168454764   0.5691016798   1.1400367639
H   -3.3521269506   1.6788358330  -0.4487579579
H   -0.5389891681   3.0587017953  -3.1622324195
*