! 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  -4.9687193350  -0.4910632719   0.1739835245
O    0.7900858193   0.2686554991   0.8539896814
O    4.7402871944   1.1981910187  -1.9090860419
O    3.7785818846  -0.6378868460  -2.7273406913
C    3.1159486177   0.1115145892   0.4619555900
C    1.7414937732  -0.2946055553  -0.0331570660
C    4.2429298546  -0.5096048803  -0.3697832684
C   -0.5219019994   0.0540949798   0.6379283689
C   -1.3946262352   0.6570416394   1.5583272196
C   -1.0248207554  -0.7058570607  -0.4112957940
C   -2.7585294572   0.4750172524   1.3953892002
C   -0.8547867149   1.4793694209   2.6880797862
C   -2.3960466299  -0.8774335226  -0.5602892971
C    4.2276462073  -0.0222311784  -1.7912126391
C   -3.2533516049  -0.2860574196   0.3443982670
H    3.2381200536  -0.2252592290   1.4931453439
H    3.2051989437   1.1999968405   0.4672392824
H    1.6539172528  -1.3872267214  -0.0475648801
H    1.5625445277   0.0673689360  -1.0518800542
H    4.1502798123  -1.5958588804  -0.3757210695
H    5.1990922973  -0.2599297596   0.0925481433
H   -0.3704805572  -1.1790842683  -1.1305009877
H   -3.4410880528   0.9351227313   2.0986713835
H   -0.2817623292   2.3350950386   2.3264367369
H   -1.6628943950   1.8622083562   3.3094482032
H   -0.1902135581   0.8989236024   3.3303036034
H   -2.7741756602  -1.4711726186  -1.3812561840
H    4.6747263079   1.4992353935  -2.8282943727
*