! 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   5.0995327808   2.5262780144  -1.6218151983
O   -2.5364390357  -0.1702882633   1.7678919289
N   -1.3125566308  -2.5038928404   0.6016647960
N   -0.2574817230  -2.8045048216  -0.1595202466
N    0.0474318704  -3.5579326418   1.9247320203
C   -2.3945406484  -0.2612531913   0.3640755399
C   -3.6053965445   0.4406852620  -0.3473137155
C   -1.0483318203   0.3402317129  -0.1142751734
C   -2.4436189147  -1.7704461968   0.0808261514
C   -3.4164188120   0.4794296939  -1.8668914262
C   -4.9230095392  -0.2812239836  -0.0392983692
C   -3.7459888726   1.8822316858   0.1594608035
C    0.0768559678   0.3892701833   0.9267578933
C    1.3397133771   0.9209727623   0.3084939062
C   -1.1167998689  -2.9570537045   1.8413708926
C    1.6031477561   2.2878913184   0.2813301631
C    2.2619206371   0.0635491947  -0.2856208750
C    0.5328025836  -3.4343273329   0.6745384046
C    2.7518283528   2.7911501211  -0.3113933920
C    3.4183696561   0.5453127918  -0.8798230526
C    3.6537423606   1.9108486210  -0.8867240125
H   -1.1998118392   1.3631727295  -0.4650115909
H   -0.7002143302  -0.2123604975  -0.9903030445
H   -3.3380740290  -2.2049045111   0.5249819607
H   -2.4795181116  -1.9666411851  -0.9882160590
H   -2.5631447524   1.0867068257  -2.1711172069
H   -4.2999618808   0.9156223226  -2.3376399628
H   -3.2870841455  -0.5126790365  -2.3028518532
H   -5.7649254650   0.3252787133  -0.3766351644
H   -5.0568393242  -0.4526733109   1.0295282868
H   -5.0087650279  -1.2412807181  -0.5495707116
H   -4.5252632332   2.3944090362  -0.4070151112
H   -4.0468183529   1.9300868595   1.2080131828
H   -2.8364907049   2.4739228921   0.0421774394
H    0.2722822041  -0.5913033305   1.3601071769
H   -0.2078283728   1.0391220734   1.7570665496
H   -2.4382677285   0.7467756905   2.0438215546
H   -1.8384258277  -2.8388533656   2.6337800442
H    0.9043416329   2.9808432340   0.7353790668
H    2.0784550816  -1.0039719228  -0.2859235607
H    1.4896916763  -3.8260118123   0.3653916899
H    2.9397027553   3.8564376529  -0.3179883391
H    4.1260956721  -0.1394058343  -1.3276979540
*