! 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   -3.6336910564   0.9416289888  -0.4994780633
O    2.7627689768  -1.6152048425  -1.7549978476
N    0.6995707749  -1.0407337290  -1.1019635282
C   -3.8771775867   1.0400746632  -1.9068898967
C   -2.5206349696   0.3502160289  -0.0285680226
C   -0.3275756574  -0.6451007855  -0.2305687167
C    2.6185474481  -0.5633931789   0.3519663628
C   -1.4435216968  -0.0435251244  -0.8148770605
C    2.5505564091   0.7945898643   0.6778716701
C   -4.2880552913  -0.3043136789  -2.4808289685
C   -4.9626087824   2.0827471767  -2.0737485443
C    2.0398594183  -1.1099082714  -0.9106939191
C   -2.4664574762   0.1601330781   1.3539649641
C   -0.2877386094  -0.8685355009   1.1395199806
C    3.3085426350  -1.4573982422   1.1661497156
C   -1.3568655135  -0.4408460202   1.9159931786
C    3.1625799750   1.2092953257   1.8589764097
C    1.8536331015   1.7986799157  -0.1920670749
C    3.8910073023  -1.0275873500   2.3464386890
C    3.8128976295   0.3134094228   2.6936864726
H   -2.9741190560   1.4014110647  -2.4110607410
H   -1.4390542898   0.1136668524  -1.8854383158
H    0.4009896537  -1.3251411248  -2.0263810027
H   -3.5238902748  -1.0710592400  -2.3489001492
H   -5.2079772824  -0.6613369103  -2.0141008683
H   -4.4695504911  -0.2103716973  -3.5521357400
H   -4.6567419627   3.0461962075  -1.6642575116
H   -5.8889095235   1.7770224019  -1.5839549859
H   -5.1768867249   2.2269376386  -3.1327999348
H   -3.2977023492   0.4753781623   1.9718210418
H    0.5434033272  -1.3758943327   1.6053132375
H    3.3681986902  -2.5019768077   0.8862388268
H   -1.3281006875  -0.6028322608   2.9857426355
H    3.1291697542   2.2581742827   2.1286076802
H    0.7758025815   1.8037981893  -0.0146067663
H    2.2164777004   2.8046151324   0.0165925916
H    2.0085386155   1.6120554133  -1.2549511282
H    4.4074847172  -1.7325250780   2.9844777608
H    4.2698833256   0.6662842252   3.6092826052
*