! 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  -0.7180006494  -0.4585845338   2.4412621892
Cl   1.6363030219  -4.2039244545  -0.5248012651
O   -1.7816692423   1.4990464056   0.4161722391
O   -0.4843152987   2.0356087156  -1.3223468305
N    1.7878818161   2.2369017909   0.4883734575
N    2.6159597714   1.3762395270   1.0853088862
N    3.6642149279   2.4433550735  -0.5796408776
C   -0.4729633696   1.4467478115  -0.0522801699
C   -2.6603606406   1.4460854803  -0.7039173905
C   -1.8142401760   2.0690837942  -1.8187936356
C   -3.1475393982   0.0424927719  -1.0295263280
C    0.4001862114   2.3168407375   0.8632148386
C    0.0554358288   0.0149488306  -0.1417285423
C   -3.8896392141  -0.6424233795   0.1090471209
C   -0.0263539804  -0.8918722102   0.9130566392
C    0.6756682285  -0.4231177726  -1.3069642287
C   -4.3680031044  -2.0342836795  -0.2757262956
C    0.4506865695  -2.1886512679   0.8041062773
C    1.1695071769  -1.7095457104  -1.4424229841
C    2.4237839062   2.8607249753  -0.5082843010
C    1.0435736936  -2.5867842811  -0.3811067585
C    3.7274229471   1.5350928806   0.4153079186
H   -3.5180564316   2.0765041230  -0.4571517432
H   -1.8834550957   1.5080158307  -2.7542105098
H   -2.0939314361   3.1054069128  -2.0199193621
H   -2.3133181050  -0.5848531091  -1.3602901419
H   -3.8141043246   0.1340757368  -1.8939519889
H    0.3170203496   2.0069994612   1.9018040898
H    0.0650708976   3.3519512934   0.7926010584
H   -4.7456168964  -0.0296893824   0.4094084328
H   -3.2410733898  -0.7125812408   0.9845985539
H    0.7766414492   0.2542149114  -2.1428286247
H   -5.0511465568  -2.0031729432  -1.1271870993
H   -3.5302972079  -2.6788214693  -0.5510515206
H   -4.8940309406  -2.5174591947   0.5488493637
H    0.3636058366  -2.8740701596   1.6358175980
H    1.6426002023  -2.0160616919  -2.3649037749
H    1.9567174456   3.6041423364  -1.1345708310
H    4.6213002771   0.9805360992   0.6556268044
*