! 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  -5.5702996525   2.5646924593  -2.3307569415
O    2.8166800831   1.4060615407   0.9269966506
O    1.8450416069  -2.0684247584  -1.6528918420
N    2.5276974762  -0.5845850237  -0.0804884038
N    1.3555312868  -2.5398445392   0.5098843042
N   -0.1932312277  -3.7528477617   1.4960276708
C    2.4393810339   0.0904644772   1.2518386680
C    3.2270149857   0.2868749007  -1.0571492595
C    3.7794207024   1.3362639030  -0.0955261097
C    1.0350869163   0.1592271032   1.8475924138
C    3.4268608954  -0.4868033901   2.2631514872
C    4.3610908416  -0.4201793855  -1.7836546155
C    2.2538440532   0.9389193805  -2.0369635801
C   -0.0500309933   0.6927313215   0.9247171157
C    1.9335468288  -1.7066472823  -0.4987912055
C   -1.4187572062   0.6985455130   1.6088024297
C   -2.4944965527   1.1625045649   0.6697624340
C    2.0044967467  -3.3139110226   1.4405522185
C    0.0372482476  -2.8685070749   0.5703643890
C   -3.2469857756   0.2494584736  -0.0634545357
C   -2.7213170611   2.5204513106   0.4584942954
C    1.0271989167  -4.0475078232   2.0398062876
C   -4.1950596390   0.6685221888  -0.9854088908
C   -3.6639006444   2.9604092808  -0.4581809700
C   -4.3928607401   2.0260517840  -1.1772481218
H    4.7642318004   1.0473244424   0.2928050561
H    3.8760032261   2.3176221911  -0.5598478581
H    1.1127923055   0.8083443834   2.7252466437
H    0.7519819217  -0.8175707765   2.2427918409
H    3.5355184005   0.2136166528   3.0920517207
H    4.4126991182  -0.6568494471   1.8301006646
H    3.0798426488  -1.4267826104   2.6839731807
H    4.9839033091  -0.9890398839  -1.0918311396
H    4.9974261204   0.3264249832  -2.2626200535
H    4.0054051413  -1.0925819450  -2.5610938047
H    2.8000027500   1.6259119141  -2.6854081104
H    1.7603665586   0.2091546708  -2.6750781997
H    1.4869683528   1.5146978331  -1.5176627979
H    0.1934196285   1.7080275332   0.6038027718
H   -0.1200691847   0.0960244623   0.0111698298
H   -1.3826398787   1.3457654425   2.4890914812
H   -1.6511609132  -0.3065966990   1.9717067030
H    3.0741420205  -3.3069825176   1.5595355268
H   -0.6977902809  -2.4170095703  -0.0782448128
H   -3.0982302892  -0.8137805864   0.0847880624
H   -2.1544528361   3.2546824095   1.0188633658
H    1.1407243589  -4.7783796333   2.8249925332
H   -4.7695680903  -0.0579235552  -1.5444830265
H   -3.8257975544   4.0194977308  -0.6077141870
*