! 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  -0.9841193901  -1.7587439212  -2.3700930813
Cl  -4.4430968733   0.9057548556   0.7353779335
O    0.8035507215  -2.7590526702   0.2775836995
N    1.6716509180  -1.8963822543  -0.3123862868
N    2.2380903748   3.6016096329   0.6364781029
C    2.0698279890   0.2864152814  -1.1480652146
C    1.1767001293  -0.7472109245  -0.5222501744
C   -0.2160647683  -0.3632317295  -0.1886930097
C    2.4570057377   1.3477477542  -0.1541453210
C   -1.2819117933  -0.7667314128  -0.9868812105
C   -0.4952896026   0.4417188534   0.9109950262
C    3.2954774170   1.0531412063   0.9157689621
C    1.9607373630   2.6424939775  -0.2385853926
C   -2.5850339057  -0.3846246761  -0.7167160317
C   -1.7893448087   0.8383631663   1.2068614604
C   -2.8220105706   0.4200594316   0.3857519979
C    3.5944011986   2.0450642310   1.8328433591
C    3.0370938693   3.3028280694   1.6515827785
C    1.3999325960  -4.0369429937   0.3894814576
H    2.9627756238  -0.2109249011  -1.5315790563
H    1.5575878780   0.7410714882  -1.9997003204
H    0.3079190685   0.7595755221   1.5615765052
H    3.7044553637   0.0561091371   1.0315037109
H    1.3001948362   2.9136792254  -1.0565422345
H   -3.3969617740  -0.7075842406  -1.3531550052
H   -1.9822475853   1.4633067942   2.0674189312
H    4.2439797026   1.8514852104   2.6755658510
H    3.2493877627   4.1002761051   2.3547979575
H    0.6753515502  -4.6680469398   0.9013527435
H    2.3196220520  -4.0058002412   0.9785273393
H    1.6169131498  -4.4714182015  -0.5892841050
*