! 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    0.9731102763   0.7012814146  -1.2344386105
N    0.8407864028  -2.0976428077  -0.5797874531
N    0.7539809085  -2.9314738754   0.4589677312
N   -1.1131090550  -3.0224098825  -0.7712084376
C    3.3172563944   0.8281969318  -0.4088358900
C    1.9166160417   0.1392325539  -0.3679818266
C    4.0099173620   0.2310531206   0.8267646675
C    1.5969168640   0.1937886299   1.1114949458
C    2.8911313335  -0.0319329899   1.8537099348
C    2.0345151147  -1.3242374723  -0.8226269061
C    3.1432011348   2.3376598429  -0.2188735544
C    4.0916511501   0.5852211005  -1.6970026649
C    0.4407751349   0.4474061386   1.7177694199
C   -0.2806042440  -2.1582932252  -1.3017364655
C   -0.4315966373  -3.4649176684   0.3037438327
H    4.7762187984   0.9039088733   1.2146727130
H    4.5237623898  -0.6972781315   0.5677811971
H    2.9618585033   0.6239165216   2.7220682065
H    2.9391829663  -1.0552934366   2.2344314083
H    2.8500533955  -1.8400420562  -0.3206532642
H    2.2419932913  -1.3527309160  -1.8926534338
H    2.5962719282   2.5924274245   0.6923120258
H    4.1211339536   2.8167465683  -0.1465899431
H    2.6296392723   2.8051683468  -1.0622039623
H    5.0394970021   1.1270526762  -1.6744736086
H    4.3349681714  -0.4664431554  -1.8546313967
H    3.5390412230   0.9376343751  -2.5706585782
H    0.7507592835   1.5917099041  -0.9467931731
H   -0.4403240249  -1.5725569801  -2.1924943599
H   -0.8173244208  -4.2043624318   0.9887467340
C   -0.8846057059   0.7102248693   1.1139929878
C   -3.4233778099   1.1947438791   0.0776794101
C   -1.8682117665  -0.2746336604   1.1414286773
C   -1.2160177410   1.9565441851   0.5862328269
C   -2.4747483276   2.2044415129   0.0595989465
C   -3.1323442480  -0.0458031510   0.6218056672
H   -1.6447817715  -1.2410560645   1.5733989250
H   -0.4888952885   2.7605735701   0.5968108556
H   -2.7097193557   3.1758639664  -0.3543326480
H   -3.8781209578  -0.8290098460   0.6428446993
Cl  -5.0002343502   1.4921903270  -0.5795584548
H    0.4480921704   0.4492498285   2.8063507523
*