! 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   4.6713549590   3.7290893067  -0.6628802482
O   -1.9405875798  -0.5329157274   1.7926258309
N   -1.4914849175  -2.8645284032   0.0789924419
N   -0.8789389737  -3.3031836014  -1.0228771844
N    0.0150874060  -4.2535553845   0.7953699854
C   -2.1509298807  -0.4709425283   0.3949922709
C   -3.3356485707   0.5144560518   0.0771803961
C   -0.8680845615  -0.0195674507  -0.3443309673
C   -2.5634336548  -1.8956251759   0.0093681556
C   -4.6670337953  -0.0310172109   0.6081547382
C   -3.0966373712   1.8680482111   0.7590038676
C   -3.4788878483   0.7517027218  -1.4293873473
C    0.4826214034  -0.5164705146   0.2080250119
C    1.5598317952   0.5120717556  -0.0039644430
C   -0.9506589667  -3.4387471756   1.1545830520
C    1.8008467432   1.4883708938   0.9604461799
C    2.3073077196   0.5553216423  -1.1774980033
C    0.0164720957  -4.1315977065  -0.5452275388
C    2.7526926240   2.4780730708   0.7700095623
C    3.2638378434   1.5385842003  -1.3896626377
C    3.4774048622   2.4950924837  -0.4108229125
H   -0.8433086774   1.0723715018  -0.3353615804
H   -0.9444494818  -0.2947992785  -1.3987912187
H   -3.3604201855  -2.2422776922   0.6664956555
H   -2.9398772574  -1.9304421370  -1.0102344360
H   -5.4354182032   0.7417095980   0.5345620646
H   -4.6036329853  -0.3239664411   1.6571273580
H   -5.0323092611  -0.8863693001   0.0367096601
H   -3.1657039184   1.8058796310   1.8465152170
H   -3.8621678888   2.5776888662   0.4402215076
H   -2.1347895205   2.3180296413   0.5063499585
H   -4.3634710629   1.3623192056  -1.6211534342
H   -2.6275518368   1.2829865820  -1.8556682906
H   -3.6086457465  -0.1739646923  -1.9933977129
H    0.7759954089  -1.4464885663  -0.2794698004
H    0.4102496236  -0.7315975827   1.2745297532
H   -1.5879650722   0.3072858798   2.1044193719
H   -1.2886676337  -3.2432175443   2.1591272793
H    1.2395829899   1.4793183493   1.8876115749
H    2.1493200301  -0.1908174614  -1.9470553637
H    0.6906564585  -4.6716454469  -1.1914997687
H    2.9252831159   3.2214943951   1.5365326161
H    3.8348817163   1.5523059198  -2.3082724432
*