! 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  -4.6595967147  -0.3416069754  -0.0336889139
O    1.8584401442  -1.3224815290  -1.1338439794
N    2.8831453377  -0.4069375217  -0.7879853837
N    0.2979296930   2.7286116562  -1.2039502703
C    2.4586308596   0.1290564355   0.5098014329
C    1.9000057378  -1.1225797706   1.1981513689
C    1.1878295650  -1.8059023062   0.0337534770
C    1.3619276424   1.1605012484   0.2710467449
C    3.5992636457   0.7854708640   1.2762554520
C   -0.2875655844  -1.4739597402  -0.0383687237
C    4.1471746839  -1.1194585047  -0.8007337868
C    0.4350436887   1.4763810777   1.2575615963
C    1.2489117931   1.8407553462  -0.9363714036
C   -1.1122292031  -1.8183513084   1.0287878680
C   -0.8498665888  -0.8105073158  -1.1221649074
C   -0.5659296866   2.3925307363   0.9888072958
C   -2.4556681704  -1.4793856618   1.0391720844
C   -2.1922589323  -0.4622486586  -1.1277541820
C   -0.5998883874   2.9844938621  -0.2629356548
C   -2.9838284807  -0.7920774800  -0.0417386756
H    2.7191983394  -1.7383931700   1.5736281985
H    1.2454865897  -0.9204886088   2.0426813598
H    1.3076812589  -2.8936540969   0.0850131805
H    4.3739868494   0.0732893193   1.5606284727
H    3.2134287217   1.2299524577   2.1937370862
H    4.0575638002   1.5861735301   0.6937516316
H    4.2442886160  -1.9197015539  -0.0572276912
H    4.9586663379  -0.4088172626  -0.6527308848
H    4.2852900450  -1.5565721443  -1.7889038637
H    0.4715899110   1.0040581727   2.2312314144
H    1.9571560390   1.6460347786  -1.7321925394
H   -0.7061915865  -2.3491938610   1.8822567913
H   -0.2419971055  -0.5370125479  -1.9724544245
H   -1.3113820723   2.6380648889   1.7328390456
H   -3.0781187491  -1.7436124028   1.8836005000
H   -2.6089223975   0.0678931276  -1.9736540667
H   -1.3774447578   3.6985526297  -0.5116054807
*