! 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   5.9751976892   0.3787693243  -0.1966140924
O   -2.6318835978   0.1757277909   1.6807013144
N   -2.3079231147  -1.8661647793  -0.4377596139
N   -2.2275851308  -2.4909066882   0.7402921139
N   -0.9734439812  -3.5418099489  -0.7793789136
C   -2.9947296951   1.8678015609  -0.0192214901
C   -2.4069157114   0.4763776001   0.3331421389
C   -2.2836570189   2.1910800054  -1.3431700814
C   -0.9477615484   0.6354867472  -0.0566032594
C   -0.8874235490   1.5445044161  -1.2542291213
C   -3.0313048769  -0.6222058792  -0.5597267895
C   -2.5797133527   2.8816059878   1.0501852462
C   -4.5118958056   1.8837531979  -0.1532134102
C    0.0524076842   0.1030127895   0.6481213919
C    1.4899247892   0.1874569060   0.3902008736
C   -1.5470223306  -2.4961877804  -1.3304427723
C    2.0453582215   0.4074584728  -0.8732709831
C    2.3713987738   0.0080050787   1.4616487715
C   -1.4174783947  -3.4905195361   0.4877861777
C    3.4172384806   0.4685523826  -1.0581116661
C    3.7438119778   0.0708496615   1.2953738641
C    4.2591552028   0.3055477095   0.0299618890
H   -2.2276570720   3.2674271319  -1.5110391280
H   -2.8411173507   1.7794742795  -2.1878957073
H   -0.0960328545   2.2881835914  -1.1338567035
H   -0.6539268055   1.0026735297  -2.1748719889
H   -3.0217019032  -0.3474218782  -1.6131547158
H   -4.0689284036  -0.7977351982  -0.2731336150
H   -3.0561261014   2.6812569217   2.0100530517
H   -1.5003419186   2.9032779052   1.2151792753
H   -2.8802428786   3.8845133515   0.7403052919
H   -4.8614756563   2.8969290801  -0.3621877194
H   -4.8721152041   1.2530775495  -0.9678875069
H   -4.9998938580   1.5567327425   0.7671977835
H   -2.5075181165  -0.7754200510   1.8202257851
H   -0.2024173524  -0.4375212783   1.5547268898
H   -1.4492231123  -2.1696173530  -2.3538587684
H    1.4122186135   0.5030573243  -1.7431164950
H    1.9752067027  -0.1822592846   2.4517759565
H   -1.1425765428  -4.2068781677   1.2461744883
H    3.8210104074   0.6306545627  -2.0484075716
H    4.4011450099  -0.0667492081   2.1433165931
*