! 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   4.0480559418   3.3895218185   1.3079014737
O   -0.8073838884  -0.1775741275   0.9999147011
N   -1.2849152263  -2.8054170484  -0.2542117911
N   -0.2137002038  -2.9569198192   0.5304474644
N   -0.1357713439  -4.4027834190  -1.1702372380
C   -1.7596806770  -0.3679575589  -0.0206801108
C   -2.9251073324   0.6333460416   0.2872087046
C   -1.1624955779  -0.1033229862  -1.4286865458
C   -2.2950009250  -1.8146880558   0.0491433069
C   -2.3803634840   2.0653371264   0.3741027130
C   -4.0011254748   0.5900536683  -0.8018114574
C   -3.5874866869   0.3178456779   1.6345917336
C    0.3371081630  -0.3534504384  -1.6235269314
C    1.2530436735   0.5827545858  -0.8804020099
C   -1.2244669447  -3.6728196592  -1.2640250435
C    1.1727107813   1.9612723669  -1.0609115256
C    2.2311731024   0.0954776542  -0.0193828360
C    0.4491405001  -3.9238888702  -0.0587592383
C    2.0236522209   2.8294180269  -0.3950656308
C    3.0955732482   0.9452340276   0.6552131787
C    2.9800805937   2.3117702901   0.4644217463
H   -1.3578680120   0.9276552926  -1.7254378691
H   -1.6994272976  -0.7065509770  -2.1663492633
H   -2.6765401519  -2.0386114155   1.0444691208
H   -3.1049955660  -1.9690625371  -0.6603730756
H   -1.6062790692   2.1679272645   1.1335505043
H   -3.1910519311   2.7476390143   0.6386369525
H   -1.9672118307   2.4241885591  -0.5694077367
H   -4.7862951077   1.3140644683  -0.5747175350
H   -4.4896078904  -0.3833146567  -0.8767325338
H   -3.6134892724   0.8433496996  -1.7896019466
H   -4.3340878140   1.0808243392   1.8632220101
H   -4.1139811920  -0.6378620043   1.6421735474
H   -2.8671147329   0.3123093162   2.4526841476
H    0.5313833364  -0.2400902930  -2.6943722592
H    0.6151332667  -1.3826330720  -1.3945620448
H   -0.2347432391  -0.9546059120   1.0605421259
H   -1.9849528628  -3.7406000972  -2.0261157182
H    0.4341595153   2.3785078399  -1.7349701991
H    2.3240443696  -0.9728054024   0.1382726133
H    1.3831143590  -4.2963423450   0.3322033500
H    1.9411104825   3.8971962497  -0.5485853227
H    3.8445102412   0.5420024167   1.3236954498
*