! 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   5.9767453560   1.7259454443  -0.0425102666
O   -2.5104961637  -0.8437714287  -1.6222442223
N   -2.5665540464   1.4282543263   0.3084912664
N   -2.7138279681   1.8773178838  -0.9409428244
N   -2.3231312815   3.5809447285   0.4467663519
C   -1.8876734016  -0.8591601339  -0.3528786123
C   -1.7761443639  -2.3440432194   0.0550067147
C   -0.4058132273  -0.4463985527  -0.5153835228
C   -0.7220644319  -2.8513381554  -0.9453344085
C    0.1951009239  -1.6535224179  -1.2563828500
C   -3.0773366822  -3.1651252641   0.1131439935
C   -2.6869179339   0.0134149331   0.6183291821
C    0.3185705553  -0.1641645728   0.8098461531
C   -2.8159298306  -4.6601761019  -0.0710373161
C   -3.8184987164  -2.9776714922   1.4368454400
C    1.7333658010   0.3028112236   0.6046195137
C   -2.3378340327   2.4558524464   1.1252533039
C    1.9948104465   1.5332646979   0.0038261228
C    2.8175639263  -0.4730246378   1.0020073722
C    3.2910628648   1.9774191550  -0.2000024888
C    4.1244873272  -0.0455572518   0.8099687440
C   -2.5547781367   3.1714868565  -0.8121241205
C    4.3498754622   1.1791315972   0.2062614845
H   -1.3296689724  -2.3754141061   1.0566223815
H   -0.3430245365   0.4576365543  -1.1286426833
H   -1.2029450535  -3.2027072341  -1.8590782920
H   -0.1693138436  -3.6986930802  -0.5396679485
H    1.2236031398  -1.8371214302  -0.9443046459
H    0.2344319379  -1.4666392259  -2.3287742653
H   -3.7316043642  -2.8420504680  -0.7027828344
H   -2.3602632577  -0.1191447476   1.6486722458
H   -3.7438544384  -0.2500669216   0.5704316967
H    0.3261516295  -1.0558132465   1.4410155022
H   -0.2107157053   0.6043461269   1.3779719353
H   -2.5986133080   0.0818314187  -1.8951194649
H   -3.7474358572  -5.2222720544   0.0224319974
H   -2.3976971483  -4.8984155831  -1.0486632713
H   -2.1294196113  -5.0441605010   0.6878099553
H   -3.2135333449  -3.3363993305   2.2736989700
H   -4.7499923959  -3.5473077549   1.4428710143
H   -4.0837919664  -1.9433698489   1.6507455718
H   -2.1938732015   2.3416499041   2.1884034344
H    1.1752604444   2.1694092608  -0.3105758724
H    2.6477184407  -1.4314849040   1.4773634783
H    3.4704766354   2.9361592864  -0.6675628681
H    4.9517484532  -0.6651972305   1.1292433074
H   -2.6088131276   3.8390615525  -1.6579256165
*