! 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   -0.1574086744  -0.4065577497   0.8256239506
O   -1.4255042901  -0.8103536941  -1.0012559433
O    6.1200665627   1.2616469329  -0.0969743779
O    4.0104672381   1.9255270163   0.3031362918
N   -2.2551483154   0.2288637066   0.8657842764
N    4.5275621756  -0.2445867227  -0.2210033684
C   -3.5956524433   0.4664249384   0.5415456064
C   -5.6134445543   0.1172721719  -0.7471621224
C   -4.2650916298  -0.1486180353  -0.5140611777
C    3.2949713116  -0.8910982864  -0.1628349241
C    0.9515696276  -1.0417828400   0.3101180552
C   -4.2872002678   1.3515126433   1.3697556588
C   -6.2920181909   1.0000277196   0.0867807949
C    2.1108029484  -0.2846104076   0.2543209073
C   -5.6258956427   1.6104390581   1.1395620363
C   -6.3120849278  -0.5335932403  -1.9043742106
C    3.2754484389  -2.2373770331  -0.5344057137
C    0.9178077306  -2.3795385400  -0.0424537407
C    2.1007008918  -2.9634256691  -0.4711429652
C   -1.3073004358  -0.3717466793   0.1145579538
C    4.8092098733   1.0613125793   0.0224547738
C    6.5924082672   2.5884649267   0.1182122253
H   -3.7542447680  -0.8463073099  -1.1603693198
H   -3.7766432169   1.8325848502   2.1957005266
H   -7.3414608779   1.2079390007  -0.0824359829
H    2.0754168681   0.7522163494   0.5497365685
H   -6.1536293778   2.2947477673   1.7913634486
H   -1.9523839750   0.5909647049   1.7587385040
H    4.1872538677  -2.7201168483  -0.8649792594
H    0.0096159476  -2.9619401848   0.0254693035
H   -5.9163282967  -1.5285312034  -2.1083572870
H   -7.3828155878  -0.6288312901  -1.7248158903
H   -6.1884483644   0.0549167671  -2.8162984366
H    2.1075329961  -4.0069886930  -0.7561915974
H    5.3128889776  -0.8294416047  -0.4676339294
H    6.3522078571   2.9466367875   1.1196790261
H    6.1924862924   3.2829658476  -0.6212498417
H    7.6727789542   2.5380300426   0.0094656781
*