! 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  -0.8111527317  -1.2236478286   2.5778625879
Cl  -4.1285965234   1.2633923734  -0.8179412432
O    0.5629825182  -3.1440645770  -0.7749738386
N    1.5467176307  -2.4471801945  -0.1413315243
N    3.1446836497   2.2643047300  -1.4417935977
C    2.1791466386  -0.4464814094   0.9779459460
C    1.1723279405  -1.3031883969   0.2600940775
C   -0.1695482126  -0.7270268883   0.0008213519
C    2.2810513713   0.9128835594   0.3424648655
C   -1.1289941691  -0.6002993556   0.9959750093
C   -0.4711911649  -0.2326664663  -1.2647546399
C    1.5760536020   2.0057188323   0.8294773789
C    3.0475407650   1.1071401200  -0.8017482041
C   -2.3517840054   0.0094167222   0.7607340121
C   -1.6824065533   0.3794851360  -1.5305488663
C   -2.6119041735   0.4959270154  -0.5085737134
C    1.6684281478   3.2205783573   0.1700785879
C    2.4642549329   3.2984998923  -0.9615458851
C    1.0751791088  -4.3705249553  -1.2595772078
H    1.8874226223  -0.3390277308   2.0258053581
H    3.1433091378  -0.9570521476   0.9685739377
H    0.2626137431  -0.3149724498  -2.0560494886
H    0.9616315483   1.9106925764   1.7171197486
H    3.6125319847   0.2785656150  -1.2191744367
H   -3.0837922501   0.0992138309   1.5514688090
H   -1.8946460096   0.7610049157  -2.5195482625
H    1.1335854873   4.0913196210   0.5242635937
H    2.5588868818   4.2340903926  -1.5012784202
H    0.2437196806  -4.8729346936  -1.7515333046
H    1.4434331105  -5.0072876490  -0.4514379305
H    1.8753546944  -4.2186766794  -1.9881871939
*