! 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  -0.3632095985   0.6086291125  -2.3448741937
Cl  -1.9232425305   5.0446595694   0.1191578985
O    0.1589597836  -0.8916242681   1.9743827806
N   -0.5910467033  -3.0140424999   0.0554618903
N   -0.2133624269  -3.5915855076   1.2003364424
N   -0.0076142084  -5.0295860226  -0.4956964449
C    0.0516994839  -0.6758683972   0.5853426996
C    1.4321570702  -0.9011608168  -0.0613563144
C   -1.0208073642  -1.6339623394   0.0195443851
C    2.4724991833   0.1425291901   0.3276214961
C   -0.4535743243   0.7574468653   0.4092685742
C    3.8696241525  -0.1723230910  -0.2023416096
C   -0.6570339650   1.3910752732  -0.8195683551
C   -0.7316550550   1.5224254550   1.5425064546
C    4.4788440340  -1.4509301524   0.3555119584
C   -1.1090576808   2.6995338386  -0.9175017187
C   -1.1783209556   2.8308152837   1.4761375743
C   -0.4591061114  -3.8820879458  -0.9468463160
C   -1.3654238535   3.4135003952   0.2373410282
C    0.1286658503  -4.7986639701   0.8213137307
H    1.3545918283  -0.9522933256  -1.1479298435
H    1.7767482599  -1.8891282670   0.2567637914
H   -1.2649134736  -1.4108068796  -1.0153155516
H   -1.9362995636  -1.5326810733   0.6049618700
H    2.1713254273   1.1231989789  -0.0515615634
H    2.5139807711   0.2345222181   1.4169910165
H    4.5260721907   0.6674867563   0.0408847883
H    3.8428186187  -0.2255452709  -1.2953846908
H    0.2820701018  -1.8429203631   2.1198639959
H   -0.5929787100   1.0886928764   2.5203514937
H    4.4877370543  -1.4421708920   1.4478047673
H    3.9372762960  -2.3434195455   0.0385412501
H    5.5107343026  -1.5710246997   0.0218251157
H   -1.2545177474   3.1509249337  -1.8888796731
H   -1.3752196713   3.3799008689   2.3863347344
H   -0.7038084304  -3.6408313454  -1.9693888317
H    0.4897648873  -5.5349325959   1.5222194612
*