! 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
Cl   4.8791052684   4.5598278398  -0.2440254014
O   -1.0607880512  -1.0676004499   1.6118643473
N   -1.9595072271  -3.1140710146  -0.3434153458
N   -1.9660033087  -3.6583375055   0.8757715804
N   -3.3328491561  -4.7884346350  -0.4802750329
C   -1.3552258342  -0.7389250601   0.2689798106
C   -2.8065072892  -0.1350961891   0.1590014992
C   -0.3012556352   0.3110490500  -0.1334220566
C   -1.1248653883  -1.9685254795  -0.6349503565
C   -2.8478544946   1.2516631479   0.8168514224
C   -3.2471091796   0.0166267745  -1.2995223141
C   -3.8546066845  -0.9888783917   0.8871777720
C    1.1543625788  -0.1739832286  -0.1470882155
C    2.1064996246   0.9888653087  -0.1761875010
C   -2.7765861350  -3.7983876885  -1.1423396672
C    2.7247737968   1.3915411777  -1.3554963414
C    2.3657491398   1.7187729303   0.9825748188
C   -2.8058262100  -4.6571968488   0.7491129335
C    3.5786560445   2.4858578943  -1.3876904923
C    3.2133822590   2.8146193050   0.9721924027
C    3.8147997839   3.1902682695  -0.2194784942
H   -0.3699653405   1.1320341840   0.5814680137
H   -0.5420448011   0.7364621722  -1.1103634023
H   -1.2704311361  -1.7152180798  -1.6834425278
H   -0.0929272074  -2.3021695064  -0.5271709441
H   -2.4601413010   1.2334008730   1.8369818347
H   -3.8807453546   1.6022157330   0.8701468221
H   -2.2918503696   2.0041058296   0.2564967919
H   -2.5341738184   0.5850249858  -1.8994315499
H   -4.1973298064   0.5528554300  -1.3453420359
H   -3.4090535364  -0.9421135015  -1.7954112265
H   -3.6124271919  -1.1398274606   1.9395276697
H   -4.8158963425  -0.4711664856   0.8592426106
H   -4.0269508825  -1.9634887962   0.4332174265
H    1.3477460576  -0.8074457760  -1.0147945081
H    1.3495090139  -0.7805220344   0.7402687731
H   -1.4151565697  -1.9467317197   1.8105959138
H   -2.9298459063  -3.5496002079  -2.1808023289
H    2.5436757172   0.8436028171  -2.2725040567
H    1.9014483176   1.4270866737   1.9174381323
H   -3.0434173772  -5.3101492750   1.5742698057
H    4.0510363295   2.7803405120  -2.3151994291
H    3.4035813148   3.3647622914   1.8839270685
*