! 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  -5.6770899679  -0.0972371407   0.0517715306
O    1.9853925803  -2.3248114312  -0.9112489313
O    0.0759330860  -0.5003443216  -0.9749721854
N    1.2177128254   1.0716878628   0.2887323053
N    1.1803230231   1.5313787128   1.5428866919
N    1.4689436157   3.2150194944   0.0982895261
C    3.6114980527  -0.9372971904   0.2991864259
C    2.3347198420  -1.0045167624  -0.5799194738
C    1.0671774289  -0.3393278364  -0.0020538682
C    4.2126698369   0.4722781645   0.3216392920
C    3.3452188264  -1.3973824608   1.7347447058
C    4.6551260182  -1.8651484549  -0.3375120802
C    1.3882347553   2.0882126308  -0.5646974281
C   -1.2368121885  -0.3821248216  -0.6500918478
C    1.3404701302   2.8201593731   1.3813613676
C   -1.7191630442  -0.0010793045   0.5963997786
C   -2.1307585662  -0.6721315894  -1.6781989123
C   -3.0898291819   0.0821557975   0.8079911812
C   -3.4935500673  -0.5870026281  -1.4661546325
C   -3.9688449187  -0.2088721077  -0.2183380127
H    2.5644620119  -0.5124592227  -1.5327556922
H    0.7899647468  -0.8179639291   0.9430449658
H    5.2142510566   0.4335956987   0.7545911931
H    4.3153444408   0.8876970788  -0.6833117930
H    3.6486375836   1.1777530630   0.9291313779
H    2.6857372520  -0.7173024025   2.2768903016
H    4.2817690755  -1.4417179772   2.2939241236
H    2.9082967486  -2.3984062494   1.7848965068
H    4.3778675201  -2.9176199728  -0.2843623016
H    5.6089027115  -1.7575775837   0.1810409474
H    4.8271443250  -1.6199923608  -1.3878743762
H    1.8973411309  -2.8472932287  -0.1061615230
H    1.4406957636   1.9686049692  -1.6355178843
H    1.3567008630   3.5013553651   2.2177654390
H   -1.0653234917   0.2473720313   1.4209713358
H   -1.7534971717  -0.9705750086  -2.6480503901
H   -3.4566118914   0.3816445897   1.7802943021
H   -4.1769173672  -0.8182280314  -2.2720173875
*