! 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   4.0920477594  -0.0004914511  -0.9402471552
O   -3.3429201779  -0.6237680651   1.7300324514
N   -2.7925825909  -0.2156534614  -0.4284106322
N   -1.3591055814   0.3767055807   1.3177278295
C   -0.0902582800   0.2595384356   0.7457008768
C   -2.5495173165  -0.1917154832   0.9030400138
C    0.2402669122  -0.7282196465  -0.1811341329
C    0.8997387607   1.1539740233   1.1539077391
C   -3.9345136935  -0.9668852450  -0.9036421389
C   -2.2346629704   0.7242748762  -1.3777236358
C    1.5211127285  -0.8017037135  -0.7041022866
C    2.1854158091   1.0715367662   0.6492120939
C    2.4890292784   0.0973864654  -0.2887133752
H   -1.3645898513   0.6192300426   2.2978310079
H   -0.4919775144  -1.4592533397  -0.4952012179
H    0.6624841258   1.9258515315   1.8757096828
H   -4.0995735221  -1.8545327334  -0.2994406398
H   -3.7442458162  -1.2906816899  -1.9261589107
H   -4.8503648893  -0.3698707525  -0.9004109767
H   -1.5869972045   0.2356571500  -2.1084784600
H   -1.6686064536   1.5088951382  -0.8843566216
H   -3.0478284894   1.2096664793  -1.9216216065
H    1.7593418825  -1.5726687976  -1.4245377936
H    2.9388937186   1.7734430916   0.9802184273
*