! 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  -6.0410668670   1.5796520606  -1.5367342172
O    2.3619142863   1.6861292356  -0.0546295562
O    2.4671298103  -1.6729957187   2.3414148424
N    2.1833360187  -0.5084131311   0.4128047374
N    1.7639754036  -2.8180308657   0.5167852975
N    1.8329305801  -4.9425520694  -0.0509002076
C    2.4333280792   0.8186126873   1.0484737190
C    2.2432452840  -0.3990256913  -1.0705332362
C    2.8673312928   0.9956775890  -1.1682332618
C    1.3502746848   1.2033100869   2.0567197720
C    3.8203965321   0.9080597198   1.6840212731
C    3.1529740152  -1.4199454331  -1.7390956113
C    0.8688292751  -0.3868182287  -1.7312499311
C   -0.0948947655   1.1466691796   1.5631299416
C    2.1732035323  -1.6142624702   1.1660852710
C   -0.5870844295   2.4267069455   0.8799390075
C   -1.9540647135   2.2559291963   0.2799624778
C    0.5076026632  -3.1383659857   0.0616176969
C    2.5112128810  -3.9521634203   0.4496450353
C   -2.1309267768   2.2295403767  -1.1003601440
C   -3.0774773172   2.0764500967   1.0856908640
C    0.5773938313  -4.4516153160  -0.2860294592
C   -3.3800785333   2.0238480196  -1.6693318028
C   -4.3337650893   1.8682610753   0.5384048776
C   -4.4736729811   1.8402407421  -0.8408781045
H    3.9632700627   0.9413091337  -1.1525179276
H    2.5693316037   1.5189909351  -2.0765350739
H    1.5856445510   2.2110957010   2.4132267304
H    1.4626651131   0.5562519216   2.9265468835
H    3.9002203149   0.3053242056   2.5840279805
H    4.0158522101   1.9452869298   1.9593841152
H    4.6071002897   0.5889130893   0.9991576198
H    4.0901149981  -1.5501175733  -1.1965885693
H    3.4026184045  -1.0591269969  -2.7388241101
H    2.6821185270  -2.3928596854  -1.8686049859
H    0.2162614040   0.3749701180  -1.3052870919
H    0.9829907627  -0.1665442240  -2.7937511887
H    0.3638491197  -1.3470434517  -1.6610202701
H   -0.2354241099   0.2927412188   0.8952494543
H   -0.7397691951   0.9455703769   2.4219113283
H    0.1118174899   2.7334256684   0.1023291305
H   -0.6021134699   3.2340550339   1.6181220734
H   -0.3136519556  -2.4427414721   0.0744065378
H    3.5447887130  -3.9754342064   0.7583061034
H   -1.2801785033   2.3792817281  -1.7544182795
H   -2.9788741757   2.1009647433   2.1646134001
H   -0.2135061167  -5.0690453798  -0.6820528751
H   -3.4922059630   2.0086834646  -2.7451823692
H   -5.1922040935   1.7317817340   1.1823439148
*