! 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   4.9865894449   4.1011457730  -1.0005792454
O   -1.6701945128  -0.9256772230   1.5993934546
N   -1.7084446894  -3.0594669236  -0.1060236781
N   -0.9428496552  -3.5147645904   0.8906001601
N   -2.4805811210  -5.0378924513   0.3405525581
C   -1.6889266419  -0.5438817347   0.2442796174
C   -3.0928096875   0.0989318913   0.0022354741
C   -0.5554906272   0.4616574738  -0.0476585881
C   -1.4421576296  -1.7689556065  -0.6964569087
C   -3.1666669568   0.7724727904  -1.3706913796
C   -4.1988785194  -0.9579087753   0.0851517796
C   -3.3906549767   1.1589145349   1.0709437549
C    0.7896652986   0.0813111750   0.5779946829
C    1.8576822188   1.0664507731   0.1963977628
C   -2.6175528366  -3.9806076700  -0.4250307897
C    2.6654887022   0.8591872768  -0.9180148800
C    2.0361585666   2.2379721155   0.9283333707
C   -1.4454296503  -4.7003976809   1.1303690272
C    3.6284370151   1.7843566960  -1.2939889074
C    2.9914242829   3.1763718623   0.5686033815
C    3.7828822158   2.9391345667  -0.5441071195
H   -0.8272818064   1.4540629991   0.3186107781
H   -0.4305820048   0.5643690898  -1.1297613248
H   -2.0399497731  -1.6965915889  -1.6024248941
H   -0.4025610151  -1.7880547535  -1.0253786881
H   -2.4946180743   1.6273758311  -1.4562036677
H   -4.1781401852   1.1458095183  -1.5443659645
H   -2.9412652964   0.0910522985  -2.1942097624
H   -4.1488218806  -1.5367777721   1.0079354842
H   -4.1843282977  -1.6509009249  -0.7571621487
H   -5.1766507718  -0.4722517956   0.0599789130
H   -2.6446500955   1.9547585588   1.1035260607
H   -4.3489072588   1.6361966526   0.8530534797
H   -3.4653406849   0.7303941498   2.0703660498
H    1.0973467450  -0.9222507432   0.2695677219
H    0.6946311753   0.0584922367   1.6649286458
H   -1.0182159997  -1.6241217673   1.7453913743
H   -3.3423907649  -3.8464712424  -1.2124670700
H    2.5495011887  -0.0432529124  -1.5066985575
H    1.4226057699   2.4244321640   1.8019655584
H   -1.0483573049  -5.3441114793   1.8998197213
H    4.2506670033   1.6022639619  -2.1599931162
H    3.1171141753   4.0780525088   1.1531162864
*