! 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  -4.9531218507  -2.0225316787  -0.9270586770
O    1.7542503596  -1.6075070987  -0.3517223571
N    1.9223933466  -0.2325344891  -0.6859113195
N    2.3054025990   4.2074924040   0.8626172327
C    2.1559287272   0.4241453342   0.6141673230
C    1.1047461083  -0.3023039165   1.4835415408
C    0.8298064998  -1.6102752811   0.7093629450
C    1.8180778027   1.8923196321   0.4427938857
C    3.5555198849   0.1894780870   1.1825999812
C   -0.6049663956  -1.7224759320   0.2520211937
C    2.9911547982  -0.1585224589  -1.6510649741
C    0.6732565779   2.2728140150  -0.2565308334
C    2.5935240608   2.9140822597   0.9772706762
C   -1.0085439591  -1.4241289603  -1.0444625008
C   -1.5677420027  -2.1258672168   1.1734005460
C    0.3662127673   3.6143820785  -0.3858724951
C   -2.3446400472  -1.5134599287  -1.4109394112
C   -2.9049929487  -2.2210304290   0.8235930255
C    1.2147450562   4.5470878207   0.1928741034
C   -3.2833737725  -1.9097245892  -0.4732356269
H    1.4928328265  -0.4968025114   2.4827071410
H    0.1958803105   0.2861391785   1.5999360917
H    1.0698041084  -2.4825116551   1.3225313333
H    3.6253502937   0.5602006101   2.2050013534
H    4.3371982885   0.6789838530   0.6006380495
H    3.7813507266  -0.8770337013   1.2152127299
H    3.9257649800  -0.6319581347  -1.3315518247
H    3.1902393335   0.8918423758  -1.8623621624
H    2.6712114093  -0.6225449211  -2.5841531199
H    0.0291670506   1.5225314859  -0.6971941153
H    3.4967378547   2.6911780272   1.5326432215
H   -0.2880833844  -1.1068890073  -1.7855470451
H   -1.2747850267  -2.3758800810   2.1869193311
H   -0.5148864639   3.9364202001  -0.9243476556
H   -2.6452401997  -1.2742468113  -2.4223643746
H   -3.6379753215  -2.5390378836   1.5528473827
H    1.0023514421   5.6075140688   0.1132894914
*