! 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   6.5320570096  -1.6032080804   1.9690551511
N   -3.3166244443   1.0194271210   0.4876271592
N   -4.2375802680   0.0685031504   0.6634533517
N   -5.1496287461   1.8760042637  -0.2909354915
N   -2.1377748435  -2.3554296665  -0.6358966612
C   -1.1795753102   0.0594122366  -0.3427620997
C    0.3125544225  -0.1115368179   0.0323270996
C   -1.9346543341   0.7788873038   0.8022982526
C   -1.3457063408   0.8642406628  -1.6281602874
C    0.5858636314  -0.9846729102   1.2593330767
C    2.0657303662  -1.1531578825   1.4622788861
C   -1.7410849399  -1.2834575846  -0.5136475783
C   -0.6499982059   2.0630283574  -1.7777052424
C   -2.2424770307   0.4859635682  -2.6217451411
C    2.7732312807  -0.3198651606   2.3229734759
C    2.7703114218  -2.1266934967   0.7586060685
C   -0.8371079282   2.8541073725  -2.9007259561
C   -2.4304581172   1.2790761815  -3.7458308242
C   -3.8728635605   2.0886617370  -0.0905040700
C   -1.7281193763   2.4646774606  -3.8911214111
C    4.1450466558  -0.4496743555   2.4855900487
C    4.1408661703  -2.2718638648   0.9063759134
C   -5.3191665386   0.6263129256   0.1854919160
C    4.8183297454  -1.4278188700   1.7724109642
H    0.7375980460   0.8783081840   0.2051497917
H    0.8292257005  -0.5260641088  -0.8356684998
H   -1.8950162370   0.2026541277   1.7244109937
H   -1.4486116094   1.7361078028   0.9882288303
H    0.1228495084  -1.9669607057   1.1388646068
H    0.1474881509  -0.5372535306   2.1532924731
H    0.0438080140   2.4006615791  -1.0187093330
H   -2.8122948892  -0.4304965857  -2.5341615053
H    2.2501842054   0.4444671121   2.8852951834
H    2.2444228524  -2.7919989194   0.0838971097
H   -0.2833843211   3.7786921382  -2.9991480318
H   -3.1333197498   0.9649202825  -4.5062839008
H   -3.3193863475   2.9821998603  -0.3340063206
H   -1.8748697195   3.0832577597  -4.7668419062
H    4.6768920141   0.2044113656   3.1634304705
H    4.6697346068  -3.0368271375   0.3539464505
H   -6.2696985085   0.1157576413   0.1861526147
*