! 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
O    1.2903573958   1.5263288533  -0.5396299096
O   -4.8030673033  -1.7023227199  -0.6311704488
O    1.6705709929  -0.1699614465   0.9009373528
O   -5.1795462925   0.4160869132   0.0318103764
N   -3.0724991780  -0.3731308836  -0.3933882395
N    3.3011105180   0.6436772941  -0.4871601254
C   -2.2638808344   0.7289322823  -0.1217672543
C   -0.0347749290   1.6259286628  -0.1727438494
C   -0.9112494977   0.5911708561  -0.4375016898
C   -2.7144520270   1.9230356208   0.4449032152
C   -0.4613931141   2.8133884202   0.3945084782
C   -1.8095143440   2.9446274912   0.6885300351
C    4.3992996716  -0.1697440136  -0.1833416494
C    4.2943148765  -1.4217623094   0.4209725794
C    5.6572266585   0.3049877261  -0.5569159861
C    2.0618761533   0.5818866057   0.0448606896
C   -4.4246630615  -0.4699778472  -0.2981694211
C    5.4408944410  -2.1717081042   0.6441673433
C    6.7910313625  -0.4573909816  -0.3336011773
C    6.6915602210  -1.7026347709   0.2718933193
C   -6.1986517283  -2.0231229143  -0.5419917030
C   -6.6319589521  -2.3183134562   0.8748707579
H   -0.5533212460  -0.3211082510  -0.8995180172
H   -3.7516909648   2.0675986926   0.6969458361
H    0.2380236918   3.6145579272   0.5926834220
H   -2.1702667318   3.8658379983   1.1268536788
H   -2.5909531302  -1.2018656405  -0.7114846285
H    3.4738243410   1.3942207174  -1.1409477227
H    3.3371262995  -1.8253786998   0.7105510851
H    5.7477288813   1.2781249871  -1.0254880303
H    5.3449560936  -3.1435070594   1.1112398849
H    7.7566518520  -0.0716383778  -0.6337529706
H    7.5761570757  -2.3001749820   0.4477752966
H   -6.3108530766  -2.9081267367  -1.1666035569
H   -6.7989248172  -1.2269741846  -0.9850642463
H   -6.0328796737  -3.1157031071   1.3160451576
H   -7.6707137781  -2.6511511749   0.8657805397
H   -6.5723899024  -1.4409661364   1.5180938169
*