! 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    0.4353468483   0.0984194875  -0.8866001746
N    1.2646602998  -2.6644505302  -0.3005801889
N    0.4802294512  -2.6219905124  -1.3804996630
N    1.5759775504  -4.5639010854  -1.3028819825
C    2.8803216698   0.1339621972  -0.5183886143
C    1.4472985992  -0.1634962541   0.0375848966
C    3.7091883244   0.2662571590   0.7658071173
C    1.3851832138   0.8035013159   1.2058737789
C    2.7731478803   0.9254096389   1.7907697008
C    1.2886621699  -1.5748643620   0.6545604597
C    2.8512397692   1.4793776897  -1.2512516746
C    3.4525706547  -0.9088798105  -1.4704088231
C    0.3605671390   1.5483097393   1.6254599003
C    1.9083064970  -3.8304927679  -0.2648776276
C    0.7026900593  -3.7784848403  -1.9557864264
H    4.6176069708   0.8469600821   0.5976852071
H    4.0359932323  -0.7170765926   1.1141602169
H    3.0257421458   1.9728360587   1.9640527051
H    2.8358372364   0.4327565687   2.7642668698
H    0.3555102684  -1.6073252964   1.2185193915
H    2.0882188662  -1.7904541847   1.3619226797
H    2.4297894452   2.2866582047  -0.6486512911
H    3.8684576277   1.7720345409  -1.5203895284
H    2.2729353123   1.4253565355  -2.1740363269
H    2.7880263311  -1.1033594845  -2.3146830816
H    4.3948359026  -0.5463096870  -1.8874793731
H    3.6775191392  -1.8573443088  -0.9828580204
H    0.2555432032  -0.7055523242  -1.3996797156
H    2.5979104292  -4.0968577454   0.5208014208
H    0.2158509883  -4.0603782254  -2.8761342262
C   -1.0380719353   1.6016437087   1.1738635150
C   -3.6969510736   1.8483291428   0.3585119593
C   -1.6326980501   2.8543587980   1.0118826258
C   -1.8297197518   0.4749049732   0.9513069733
C   -3.1491271671   0.5887022378   0.5460852945
C   -2.9481453637   2.9888623787   0.5960954539
H   -1.0532432230   3.7499340631   1.2011577580
H   -1.4303675004  -0.5148116141   1.1178787767
H   -3.7429057177  -0.3005078370   0.3819348714
H   -3.3784146320   3.9722077221   0.4622815625
Cl  -5.3432927162   1.9961357509  -0.1646576258
H    0.5942423960   2.2723842924   2.4035498822
*