! 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  -3.6294147377   3.2221821323   0.4668167011
N   -0.3187970890  -2.0492973239  -0.9181611780
N   -0.4394705812  -3.1346108599  -0.1502701843
N   -2.4171091597  -2.5812585636  -1.0416537402
N    1.5077205046  -1.8036157656   2.3480311319
C    1.1940002864  -0.3965460927   0.1665094952
C    2.5209338224   0.3687594472  -0.0603287880
C    0.9329921173  -1.3506423564  -1.0254136139
C    3.7794895982  -0.4921220197  -0.1043010743
C    0.0046540371   0.5476551209   0.3061338231
C    5.0529284631   0.3433166908  -0.2165790330
C    1.3458812398  -1.1895568489   1.3900047996
C   -0.9998749108   0.3293709359   1.2424545886
C   -0.1441242121   1.6059500980  -0.5870442531
C    5.1700575840   1.1336686420  -1.5114903516
C   -2.1186682356   1.1470212647   1.3000357860
C   -1.2540111199   2.4333238285  -0.5405234074
C   -1.5075335004  -1.7248635003  -1.4361114533
C   -2.2368153955   2.1966457204   0.4065202200
C   -1.7118983793  -3.4182529630  -0.2550269355
H    2.6151399949   1.1150706825   0.7322917593
H    2.4255496637   0.9186128073  -0.9972841417
H    1.7273892481  -2.0888696987  -1.1197025196
H    0.9180509896  -0.7582182556  -1.9403319219
H    3.7410421998  -1.1887457191  -0.9467500410
H    3.8461417019  -1.1031835004   0.7996643316
H    5.9101075283  -0.3293018288  -0.1319000355
H    5.1165188981   1.0232797277   0.6382769871
H   -0.9357136070  -0.4880226319   1.9492612893
H    0.5999613317   1.8062139761  -1.3460404500
H    4.3977826748   1.8988220832  -1.6049971690
H    5.0943973475   0.4799828473  -2.3831637492
H    6.1318200109   1.6451646580  -1.5701978660
H   -2.8869286985   0.9555962136   2.0364008887
H   -1.3460222840   3.2514304470  -1.2416374015
H   -1.6536087992  -0.8788582648  -2.0894165295
H   -2.1482308446  -4.2667309883   0.2485770091
*