! 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   -3.5940796908  -1.2877283748  -1.3909835151
O   -1.0505155248  -1.0777814081  -0.4477843092
N   -2.1017005392   0.9940758993  -0.2612866004
N   -2.0608838692   2.0237393516   0.5908239081
N   -2.2290266084   2.7573571321  -1.5151510788
C   -4.6169530739  -0.6591869581   0.6880355283
C   -3.3419727257  -1.1709206387  -0.0152754847
C   -2.0540652991  -0.3689729605   0.2266534179
C   -4.3293195394  -0.3975846027   2.1674778453
C   -5.2066513176   0.6029744725   0.0532840866
C   -5.6597491545  -1.7790237300   0.5873483680
C    0.2640077490  -0.8010402407  -0.2405347547
C   -2.2007773200   1.4466365678  -1.5168478269
C    0.7504880234   0.1351843104   0.6634459010
C    1.1560202197  -1.5424581215  -1.0108222267
C   -2.1469053053   3.0591240466  -0.2034748051
C    3.0314621070  -0.4112355165   0.0227569246
C    2.1219904268   0.3170911403   0.7844719546
C    2.5166903294  -1.3483190358  -0.8768540221
C    4.4864879679  -0.1979687533   0.1514126888
C    5.0683886451   0.0602154903   1.3940989073
C    5.3166676759  -0.2468342324  -0.9704161835
C    6.4350042515   0.2660235441   1.5104868080
C    6.6834168495  -0.0433174438  -0.8539315699
C    7.2490870363   0.2152859985   0.3871287639
H   -3.1253772790  -2.1552749226   0.4265237854
H   -1.8516371203  -0.3036750562   1.2983087598
H   -3.8636594384  -1.2592084809   2.6529362345
H   -3.6819355117   0.4671105099   2.3235209050
H   -5.2610094761  -0.1940133864   2.6985424511
H   -4.5884785603   1.4878622284   0.2028400573
H   -6.1719191226   0.8207739657   0.5166245695
H   -5.3851238779   0.4859384990  -1.0156980295
H   -5.9216320803  -2.0030830057  -0.4473351576
H   -6.5783896250  -1.4903477241   1.1021167923
H   -5.3032356470  -2.7033914312   1.0494350187
H   -2.9567155814  -1.8949501784  -1.7785800193
H   -2.2408789193   0.8072562672  -2.3827396274
H    0.0974304587   0.7443376831   1.2730715989
H    0.7773597665  -2.2794080846  -1.7080864818
H   -2.1410105585   4.0692530228   0.1754876322
H    2.4764918668   1.0697164188   1.4776597663
H    3.1877760275  -1.9528496281  -1.4742077358
H    4.4526701586   0.0817460426   2.2849588683
H    4.8903480975  -0.4236004416  -1.9502682185
H    6.8656311008   0.4595543410   2.4846120057
H    7.3066562346  -0.0788507072  -1.7383505421
H    8.3157049876   0.3747851006   0.4780832194
*