! 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  -5.5086246627   4.2459713404   1.1616467882
O    1.1818664512   1.2099060929   0.2185925817
O    1.3184291112  -2.6675499255   1.6305212010
N    1.8384207420  -0.9431147814   0.2486275196
N    2.6207417755  -3.1179027737  -0.1715294616
N    4.0572423734  -4.7128447358  -0.6532095504
C    0.9627677091   0.0354064885   0.9575092979
C    2.7502740412  -0.2448731010  -0.6960951513
C    2.5147960449   1.1928342805  -0.2215855690
C   -0.5211921455  -0.3209336741   0.8881495107
C    1.3975177533   0.2449765637   2.4074464902
C    4.2212632245  -0.6015120591  -0.5304033311
C    2.3200483559  -0.3837635141  -2.1527727822
C   -1.1130021834  -0.6145251081  -0.4877540867
C    1.8736989111  -2.2174443453   0.6506177308
C   -1.4430623120   0.5931511986  -1.3753116289
C   -2.4510328468   1.5201225482  -0.7571368317
C    2.2582968016  -3.6066051828  -1.4035142148
C    3.6938522302  -3.8418884699   0.2426034453
C   -2.0582875663   2.6628680290  -0.0643935573
C   -3.8137362506   1.2399099695  -0.8365139116
C    3.1624973807  -4.5850975946  -1.6803208262
C   -2.9882945112   3.5046299228   0.5291507440
C   -4.7592346084   2.0679169475  -0.2511111133
C   -4.3353542780   3.1984693533   0.4295614365
H    3.2131359585   1.4635648238   0.5807941528
H    2.6327547865   1.9176195645  -1.0268988453
H   -1.0666063694   0.4972357850   1.3674692105
H   -0.6872016760  -1.1848245834   1.5310475763
H    1.1974644401  -0.6272853863   3.0240215103
H    0.8418247486   1.0846826122   2.8271114530
H    2.4612636418   0.4724215830   2.4888910168
H    4.4942351273  -1.5340436929  -1.0207561428
H    4.5111118216  -0.6569558835   0.5196419094
H    4.8234556727   0.1826098778  -0.9936922214
H    2.4696109375  -1.3913653892  -2.5335088947
H    1.2746823042  -0.1124905875  -2.2994768660
H    2.9247291424   0.2808778427  -2.7716665534
H   -0.4564542354  -1.2879118614  -1.0460678496
H   -2.0360391694  -1.1795312353  -0.3323988429
H   -1.8390603579   0.2124660638  -2.3200969456
H   -0.5384657917   1.1476802760  -1.6209261121
H    1.3919886485  -3.2556601776  -1.9376261978
H    4.1726285548  -3.6643248714   1.1933165741
H   -1.0059461980   2.9047419805   0.0190532992
H   -4.1518990108   0.3602452601  -1.3718607907
H    3.2102927461  -5.2064287813  -2.5609289049
H   -2.6610330087   4.3882684945   1.0605740433
H   -5.8124660650   1.8340843134  -0.3305717568
*