! 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  -5.0684966548   1.6245600908  -0.1831338352
F   -2.5657614563  -2.6014685270   1.3988386130
F   -1.1506120597  -2.9967304778  -0.1658522926
F   -0.5352786461  -1.9292415964   1.5969686181
O    2.2809361833   1.6509956304   0.5869196227
N    2.5507200171  -0.9446716823  -0.6402666788
N    0.3186306481  -0.6556870873  -0.9150022339
N    4.6673766342  -1.5636275119  -0.6257069925
C    1.3510691095  -0.3400246714  -0.2632034134
C    1.4164553274   0.6013274076   0.9118545757
C    2.5306632782   2.5098456994   1.6847310411
C   -0.9292052968  -0.0940934321  -0.6758625186
C    3.5063623526   3.5876026481   1.2682248288
C   -1.8981616295  -0.7755816595   0.0699608677
C   -1.2670705819   1.1229245343  -1.2623203649
C   -3.1700611370  -0.2418791503   0.2238755496
C    2.7092151741  -1.8282290244  -1.6894736926
C    3.0010120602   4.4737471213   0.1399247942
C    3.7764040277  -0.8304751390  -0.0383733760
C   -1.5430596731  -2.0769372966   0.7204504313
C   -2.5340360910   1.6566427065  -1.1125102124
C   -3.4791339227   0.9686347393  -0.3700757756
C    4.0126408936  -2.1932949626  -1.6578658053
H    1.7605756306   0.0433421453   1.7951054216
H    0.4089530171   0.9636147280   1.1446883298
H    2.9414000005   1.9358485816   2.5269668186
H    1.5909757008   2.9620751019   2.0327042812
H    3.7064862989   4.1953446014   2.1545054694
H    4.4597508864   3.1286951520   0.9913692594
H   -0.5307109390   1.6505736913  -1.8538272542
H   -3.9219711312  -0.7592753551   0.8029487488
H    1.8961688596  -2.1049120788  -2.3367925364
H    2.8502468854   3.9140717441  -0.7834943615
H    2.0517223129   4.9462337835   0.4009890045
H    3.7139318908   5.2704929332  -0.0758303286
H    3.9546137869  -0.2017928390   0.8174253292
H   -2.7763311285   2.6036049905  -1.5751674372
H    4.5228151473  -2.8726016349  -2.3221826699
*