! 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    3.9050331506   0.4182330321  -0.1801555544
O    0.1326974617  -1.8581619250   0.7611163245
N   -0.3484727409   0.1531127646  -0.1942475427
C    1.9283090403  -0.5388814871   0.0348536629
C    2.5938292566   0.6533744067  -0.0088712386
C    0.4980080234  -0.8157694017   0.2428254051
C   -1.7429868210   0.2195856620  -0.1118688979
C    2.9209805128  -1.5627976974  -0.1024272350
C    2.1749357103   2.0694700532   0.1191983886
C    4.0961330823  -0.9221271680  -0.2424239365
C   -2.5459720862  -0.7281860625   0.5249052954
C   -2.3479137982   1.3263942495  -0.7137845982
C   -3.9235183638  -0.5537021572   0.5466338534
C   -3.7219034939   1.4852167337  -0.6832666700
C   -4.5233342373   0.5437324841  -0.0515094898
H    2.7592106224  -2.6283617427  -0.1102357334
H    0.0692654732   0.8989689072  -0.7286451540
H    1.8642185226   2.4939502665  -0.8390466248
H    1.3466207161   2.1730434837   0.8190623332
H    2.9950136551   2.6832521622   0.4904359734
H    5.1097955117  -1.2593949054  -0.3861218815
H   -2.1171608312  -1.5961874485   0.9975283787
H   -1.7369691506   2.0709242100  -1.2118862081
H   -4.5328301670  -1.2983578590   1.0428409601
H   -4.1653126889   2.3512322736  -1.1575052378
H   -5.5982300276   0.6641491738  -0.0271823992
*