! 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    1.0092031477   0.7226044940  -1.2440437985
N    0.8134857042  -2.0590336503  -0.5676873792
N    0.6972016033  -2.8922881534   0.4686922630
N   -1.1593675039  -2.9386063664  -0.7799939302
C    3.3507771068   0.8182003465  -0.4129841568
C    1.9383762731   0.1546106838  -0.3657935434
C    4.0291322479   0.2290772109   0.8332259542
C    1.6134334252   0.2316409914   1.1121823006
C    2.9048268410   0.0186030517   1.8650513380
C    2.0290514359  -1.3165694157  -0.8006807835
C    3.2016798774   2.3330554414  -0.2463360462
C    4.1245780866   0.5422541286  -1.6946862494
C    0.4530364500   0.4783015586   1.7141484238
C   -0.3019488874  -2.0934472364  -1.3008662729
C   -0.4977127962  -3.3995359227   0.2996638560
H    4.8145969920   0.8879939501   1.2066228067
H    4.5161291090  -0.7185558753   0.5925269297
H    2.9817762678   0.7079505578   2.7067158118
H    2.9406486471  -0.9886430344   2.2875719465
H    2.8243338574  -1.8449251989  -0.2794630753
H    2.2532742245  -1.3637280181  -1.8668212108
H    4.1871007573   2.7962608742  -0.1715331633
H    2.7043895766   2.7976498689  -1.1010350479
H    2.6511674062   2.6112927578   0.6559449803
H    5.0767799443   1.0768638901  -1.6825239270
H    4.3598869459  -0.5144597717  -1.8297061496
H    3.5761906977   0.8805684334  -2.5766429233
H    0.8058755797   1.6221579774  -0.9715114782
H   -0.4400585207  -1.5023061343  -2.1916897279
H   -0.9080565104  -4.1292975329   0.9808381343
C   -0.8767850808   0.7156371316   1.1109882000
C   -3.4258156283   1.1405097759   0.0723854498
C   -1.8594525932  -0.2667028019   1.2006225385
C   -1.2163608162   1.9321959642   0.5227567519
C   -2.4799025088   2.1500354397  -0.0051340971
C   -3.1280286095  -0.0685929908   0.6795462407
H   -1.6306602622  -1.2085143727   1.6815782682
H   -0.4940196101   2.7397157494   0.4894190968
H   -2.7206959328   3.0986964962  -0.4658522226
H   -3.8715676391  -0.8512398990   0.7477573216
Cl  -5.0081372491   1.3997786687  -0.5879671545
H    0.4600071281   0.4843407408   2.8027497211
*