! 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
O    1.2751520643   0.7026401900  -1.4743356930
N    0.7872097064  -2.1118371935  -0.6974037052
N    0.5798271714  -1.9704490128  -2.0098096635
N    0.9534574754  -4.1149477664  -1.5163660692
C    3.1657276854  -0.1710025446  -0.1712881686
C    1.6360611826   0.1829998839  -0.2103891614
C    3.7919484596   1.2112371403   0.0591860622
C    1.5201271652   1.3446220480   0.7797280263
C    2.9040715207   1.8499567584   1.1171883809
C    0.7088253738  -0.9731841342   0.1956545556
C    3.7067177858  -0.8075396309  -1.4463978080
C    3.5098356525  -1.0751811830   1.0167965914
C    0.4247258568   1.9209884133   1.2818085979
C    1.0052791057  -3.3962130978  -0.4175270411
C    0.6944790542  -3.1956285463  -2.4619040151
H    3.7591980557   1.7959965844  -0.8641058445
H    4.8388764354   1.1418659220   0.3603670786
H    2.9490020903   2.9397507594   1.1164561375
H    3.2021829532   1.5270442127   2.1190642378
H   -0.3273787534  -0.6406825189   0.2107568118
H    0.9435259699  -1.3277995096   1.1964498630
H    4.7917241481  -0.9076275161  -1.3681276187
H    3.3143698545  -1.8096078729  -1.6263342433
H    3.5074795158  -0.2010105142  -2.3299226106
H    3.1811721347  -2.1041705068   0.8647322770
H    4.5930071618  -1.1130425145   1.1490640374
H    3.0857203690  -0.7335031407   1.9627592140
H    1.1089313535  -0.0399537651  -2.0772032235
H    1.1876057775  -3.7586041395   0.5820073839
H    0.5845684093  -3.4294743428  -3.5092404574
C   -1.0068978895   1.6642946108   1.0529467014
C   -3.7509787791   1.2757560165   0.7357412152
C   -1.8665800808   1.6529482746   2.1539824404
C   -1.5667840801   1.5032826744  -0.2158876853
C   -2.9294559615   1.3080467393  -0.3792011111
C   -3.2285106534   1.4494794236   2.0078342552
H   -1.4644601873   1.7975183714   3.1493513413
H   -0.9336224808   1.5337553762  -1.0909633371
H   -3.3420875978   1.1890778936  -1.3721195910
H   -3.8719426692   1.4321192248   2.8770734065
Cl  -5.4545525341   1.0292177695   0.5373833038
H    0.6053268846   2.7205662150   1.9976191219
*