! 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   0.6926548356  -1.3632749435  -2.2272344019
Cl   5.0068060299   0.9305127772  -0.1041191815
O   -1.2718421272  -1.5276487266  -0.0024676248
O   -1.3669461950   0.1782009834   1.4660630034
N   -1.2636428276   2.0231725881  -0.8400847866
N   -0.3184857679   2.4769758678  -1.6657235779
N   -0.9492501982   4.0833273844  -0.2405143260
C   -0.9245915789  -0.1872812123   0.1883141313
C   -1.7792590503  -2.0630830654   1.2173528493
C   -2.2715036866  -0.8123017137   1.9214747594
C   -2.8454103680  -3.0962768459   0.9265423642
C   -1.6745270254   0.6436292532  -0.8686797019
C    0.5791811041   0.0414548213   0.1161672060
C   -3.4193131476  -3.7019541462   2.2028391030
C    1.3643380932  -0.4302434617  -0.9334753546
C    1.2145193088   0.8037034001   1.0916212895
C   -4.4589459884  -4.7739448059   1.9175353423
C    2.7240073587  -0.1688508163  -1.0059627474
C    2.5685599330   1.0871798051   1.0405346334
C   -1.6235408983   2.9871912022   0.0111066088
C    3.3143742456   0.5933938299  -0.0139329899
C   -0.1654079104   3.7144445541  -1.2731361939
H   -0.9603668939  -2.5214867307   1.7877685519
H   -3.3040779335  -0.5676300202   1.6409234578
H   -2.2103463363  -0.8638649786   3.0079137669
H   -2.4167032427  -3.8912392741   0.3095969673
H   -3.6457992381  -2.6346787435   0.3389921822
H   -2.7470796254   0.5818678028  -0.6775927035
H   -1.4961919100   0.2647184661  -1.8720434017
H   -3.8724944517  -2.9189380500   2.8187182799
H   -2.6084747372  -4.1282115236   2.8009998870
H    0.6447960344   1.1966139390   1.9208607343
H   -4.0373448560  -5.5914757701   1.3294310289
H   -4.8503717881  -5.2020004387   2.8412892122
H   -5.3054292833  -4.3696215599   1.3589870519
H    3.3094594660  -0.5529557645  -1.8295739223
H    3.0268474453   1.6850889061   1.8158416581
H   -2.3734954097   2.8519560811   0.7742200464
H    0.5357229639   4.3803013652  -1.7520299357
*