! 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  -5.8583380205  -0.9004561935  -0.9469589960
O    0.0409237222   1.5851410810   0.9354291164
N    1.4425393645   1.5267667616   0.6860340149
N    4.9558632187  -1.1418969770  -1.1441353335
C    1.6089070503   0.3131204001  -0.1298405759
C    0.7313985841  -0.6499054806   0.6854326415
C   -0.3718765128   0.2700838510   1.2451579366
C    3.0662159123  -0.1012293348  -0.0826847295
C    1.0797106957   0.4493179263  -1.5591930606
C   -1.7442609111   0.0171577722   0.6732241333
C    1.8060921078   2.7781147584   0.0668518820
C    3.8336403766   0.0921236157   1.0645787542
C    3.6934720235  -0.7276635196  -1.1551835519
C   -2.4312386622   0.9556124963  -0.0879141832
C   -2.3566021075  -1.2082400061   0.9295938940
C    5.1520923490  -0.3268357250   1.0837326896
C   -3.6965371941   0.6784677154  -0.5894667577
C   -3.6155312371  -1.5012152835   0.4336975277
C    5.6700536713  -0.9406697596  -0.0461273999
C   -4.2790252826  -0.5486267604  -0.3255570812
H    0.3454562585  -1.4670637679   0.0772473177
H    1.3013956392  -1.0883127732   1.5040787943
H   -0.4264543409   0.1443420322   2.3338677138
H    1.0240596891  -0.5216707855  -2.0503531570
H    1.7065491839   1.0954765586  -2.1750575123
H    0.0706973621   0.8609337023  -1.5665390592
H    2.8613218318   2.7332453416  -0.2021198013
H    1.6908064120   3.5881006993   0.7873764207
H    1.2286600059   3.0268751475  -0.8299160683
H    3.4036485680   0.5746932685   1.9322331490
H    3.1554455457  -0.9156356037  -2.0766946422
H   -1.9895258241   1.9191108383  -0.3026219706
H   -1.8456972936  -1.9557475098   1.5256830814
H    5.7707290794  -0.1807977741   1.9590309576
H   -4.2176806201   1.4202194445  -1.1801315783
H   -4.0721885607  -2.4602533606   0.6392757504
H    6.6985497342  -1.2836999265  -0.0646327280
*