! 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   6.0136723535   1.7146413536  -0.2557255315
O   -2.5359022148  -0.7724744759  -1.4515151189
N   -2.6551002326   1.4078063663   0.2952490696
N   -1.7942867377   2.3286283401   0.7360373841
N   -3.1837414701   3.2233530236  -0.7712607786
C   -1.8370929994  -0.8725941150  -0.2250682673
C   -1.7412915066  -2.3420126109   0.2672996352
C   -0.3577218196  -0.4638814472  -0.4292540932
C   -0.4402303588  -2.8822408308  -0.3864760495
C    0.2144557512  -1.7030659087  -1.1183968669
C   -2.9379803470  -3.2678672691  -0.0078424226
C   -2.6045244973   0.0305464856   0.7395367359
C    0.4016964612  -0.1626264877   0.8743635028
C   -2.6818884515  -4.6284863451   0.6402363955
C   -4.2883521387  -2.7426459139   0.4682306860
C    1.8089129964   0.2944861742   0.6111544361
C   -3.4742919469   1.9542577073  -0.6044699741
C    2.0461259847   1.5760504429   0.1159321873
C    2.9045034972  -0.5334795745   0.8345468150
C    3.3303291770   2.0206451636  -0.1539918477
C    4.1995614013  -0.1072776440   0.5722717864
C   -2.1483721351   3.3990916523   0.0710851025
C    4.4007282562   1.1694696296   0.0764427996
H   -1.6013058797  -2.3088545484   1.3551911295
H   -0.3053808491   0.4225987524  -1.0693479671
H   -0.6523954036  -3.6979959051  -1.0800514789
H    0.2288014890  -3.2954308358   0.3694414962
H    1.3040368995  -1.7383536654  -1.0868319833
H   -0.0408891194  -1.7119987217  -2.1823300161
H   -3.0032365698  -3.4209333833  -1.0913400367
H   -2.1622910993   0.0161855187   1.7328813548
H   -3.6308397183  -0.3119796887   0.8500940922
H    0.4198906827  -1.0412405129   1.5247676899
H   -0.1088794246   0.6260995320   1.4268239254
H   -2.0507116611  -1.2320524792  -2.1442981400
H   -1.7529522784  -5.0889783248   0.3016696841
H   -2.6260396036  -4.5393180639   1.7285279160
H   -3.4885992690  -5.3276824118   0.4114414311
H   -4.6215728158  -1.8723424109  -0.0956488166
H   -4.2707762605  -2.4805129696   1.5292638460
H   -5.0559690329  -3.5092889759   0.3423329951
H   -4.2620941583   1.4053111444  -1.0945809174
H    1.2123584804   2.2471603050  -0.0554680846
H    2.7545625674  -1.5325490225   1.2260276390
H    3.4920993811   3.0202285084  -0.5347615680
H    5.0368358947  -0.7674156710   0.7548918952
H   -1.6440329089   4.3438229450   0.2047017309
*