! 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   -4.2539418177   0.0213512283  -0.2304066463
O    2.0579812006  -1.9186319836  -0.3244008529
N    0.5104246104  -0.3120869484   0.1394525865
C   -4.2554875452   1.4365851577  -0.0192431769
C   -3.1047584594  -0.6753804153  -0.2878026016
C   -0.7051557498  -0.9538154463  -0.1190526077
C    2.8237285381   0.1885040944   0.4636646777
C   -1.8438261606  -0.1420659334  -0.0538493552
C    3.9482598616   0.4141212215  -0.3428477308
C   -3.8799526830   2.1755442958  -1.2916350193
C   -5.6527337362   1.7887238219   0.4478535778
C    1.7759988860  -0.7942594580   0.0486540123
C   -3.2313594055  -2.0330123160  -0.5926784027
C   -0.8288333642  -2.3070691271  -0.4197298728
C    2.6919217557   0.8370459380   1.6895763174
C   -2.0998918960  -2.8207859000  -0.6506453637
C    4.9079404142   1.3107089675   0.1193881033
C    4.1372490943  -0.2487985185  -1.6760920157
C    3.6696394867   1.7114915298   2.1376469651
C    4.7800187305   1.9504730075   1.3441686795
H   -3.5511213141   1.6886729101   0.7811310170
H   -1.7164121281   0.9064618116   0.1840014812
H    0.4307681921   0.6643852684   0.3813835020
H   -2.8888380960   1.9077050675  -1.6595318933
H   -4.6004051455   1.9722227605  -2.0860341014
H   -3.8774631078   3.2507147821  -1.1087676377
H   -5.7166848507   2.8567537488   0.6561183329
H   -5.9122583052   1.2567990779   1.3639261467
H   -6.3987558203   1.5511465591  -0.3127433401
H   -4.2118583859  -2.4534476691  -0.7762495107
H    0.0280442289  -2.9561393197  -0.4778311388
H    1.8296887260   0.6418411611   2.3160008264
H   -2.2014754146  -3.8728183361  -0.8843528981
H    5.7754880920   1.5141989561  -0.4967431269
H    4.9480593700   0.2285190072  -2.2247631165
H    4.3882228597  -1.3043069681  -1.5711008511
H    3.2427339925  -0.1907173858  -2.2973526816
H    3.5617217346   2.2002320172   3.0967914443
H    5.5494007011   2.6364542042   1.6743410237
*