! 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    0.4501886138  -2.0006570869   0.1277974793
O    0.2264049369   2.5177178912   0.3417797965
N    0.4152418116   0.2732856549   0.0138073971
N   -1.5543032595  -0.9735287716   0.2076486375
N   -1.6770240124   1.3535688443   0.0763314924
N   -3.5905517368   0.1303483465  -0.1128846007
C    1.8820501797   0.3816037829  -0.0950329449
C    2.6089215401  -0.0418455695   1.1793581304
C    2.4533452204  -0.2942863777  -1.3395873588
C    4.1007230936   0.2558412093   1.0508834820
C    3.9429286064   0.0245587155  -1.4502259107
C    4.6971793685  -0.3941114255  -0.1927606095
C   -0.1702760241  -0.9592145331   0.1036367988
C   -0.3352764857   1.4502013097   0.1765095193
C   -2.2593301594   0.1915276137   0.0453572476
C   -2.1437398345  -2.2142126601   0.7060337549
C   -4.3626944631   1.3504480702   0.0237322119
C   -4.2569081979  -0.9193519030  -0.8673175149
H    2.0562066030   1.4500192650  -0.2174188188
H    2.4665292355  -1.1074684301   1.3682799058
H    2.1922272448   0.4968180895   2.0344233958
H    1.9251213940   0.0633357075  -2.2272965648
H    2.3229346182  -1.3760525402  -1.2981085018
H    4.6211260477  -0.0887880524   1.9475201282
H    4.2533767297   1.3395508045   1.0024993439
H    4.0778825933   1.0991883863  -1.6144313905
H    4.3590187057  -0.4765616713  -2.3272827456
H    5.7545302992  -0.1329832760  -0.2829379591
H    4.6542831174  -1.4839389877  -0.0901527009
H   -2.2417182434  -2.9681196124  -0.0722026860
H   -3.1195797153  -2.0065679405   1.1311298440
H   -1.5191980040  -2.6137996161   1.5007978466
H   -4.3547128291   1.9481387122  -0.8907254292
H   -3.9868948538   1.9600874377   0.8400209644
H   -5.3927671069   1.0773586655   0.2483840925
H   -4.9642652399  -1.4759919372  -0.2520215695
H   -3.5521634585  -1.6142851414  -1.3133908446
H   -4.8091575721  -0.4620230297  -1.6899418762
*