! 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  -5.6574070976  -0.1734131149   0.2214830980
O    2.0261906481  -2.2478913064  -0.9566019003
O    0.0764865110  -0.5183257771  -0.9247007389
N    1.2386792220   1.1642303977   0.1707321152
N    1.0878132310   1.7480479188   1.3636527004
N    1.4958494202   3.2820038549  -0.2130681580
C    3.5824856705  -1.0282167638   0.3604410027
C    2.3634685456  -0.9374133014  -0.5857234454
C    1.0989860387  -0.2661818462   0.0018300564
C    4.7106462849  -1.7232533849  -0.4121724654
C    4.0920979724   0.3544235151   0.7750663333
C    3.2623861698  -1.8417539662   1.6163279066
C    1.4775868423   2.0937867471  -0.7626924362
C   -1.2318394716  -0.4092293021  -0.5741898900
C    1.2544666313   3.0149045402   1.0870294893
C   -1.6907321249   0.0460865212   0.6554248789
C   -2.1423539777  -0.7918948373  -1.5557929726
C   -3.0574786611   0.1135925214   0.8961152693
C   -3.5013042883  -0.7225920847  -1.3145693153
C   -3.9542729900  -0.2676855174  -0.0842813993
H    2.6702622277  -0.3493401191  -1.4657873418
H    0.8618004700  -0.6781477990   0.9865684524
H    4.4634027826  -2.7490113521  -0.6827326273
H    4.9584924464  -1.1846815131  -1.3306146759
H    5.6154268805  -1.7550128849   0.1979926704
H    3.4341540386   0.8610011395   1.4798628633
H    4.2490682499   1.0114423297  -0.0834011358
H    5.0564957946   0.2495025326   1.2762115276
H    4.1589356641  -1.9432771588   2.2311170679
H    2.9153646794  -2.8481536836   1.3807309203
H    2.5072072084  -1.3635789694   2.2437538940
H    1.3696041416  -2.2162135177  -1.6599112248
H    1.6232926842   1.8685871535  -1.8075255386
H    1.1972489715   3.7766449080   1.8487340884
H   -1.0216817523   0.3668595190   1.4417205476
H   -1.7825802928  -1.1485829086  -2.5125475806
H   -3.4074708901   0.4725675521   1.8543909519
H   -4.1985817407  -1.0247748515  -2.0841631462
*