! 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   -2.8032422141   0.7747458768   0.1259926823
O    3.0854746063  -1.8397855776  -1.1024075514
N    0.9286961010  -2.2338845325  -0.6381289649
C   -2.0488979602   1.9473108282  -0.2008894670
C   -2.2216475166  -0.4383725798   0.1277194142
C   -0.3830864783  -1.9593398388  -0.2185038440
C    1.9699238051  -0.1678609901   0.1511497502
C   -0.9287300345  -0.6815693247  -0.3225698048
C    2.2437593288   1.0357535770  -0.5086231999
C   -2.0010677568   2.1573030755  -1.7041633390
C   -2.7223014654   3.1015814730   0.5121846944
C    2.0463223630  -1.4637232062  -0.5862597969
C   -2.9955781192  -1.4932658245   0.6158324337
C   -1.1510917970  -3.0108355445   0.2665934925
C    1.6504195119  -0.1811151265   1.5045613022
C   -2.4580569503  -2.7657445212   0.6650402626
C    2.1557302736   2.2144818726   0.2277177530
C    2.5748797902   1.0849619791  -1.9720095213
C    1.5910562129   1.0014263033   2.2238497708
C    1.8348064350   2.2038631163   1.5776263913
H   -1.0309888988   1.8445824057   0.1951737197
H   -0.3397607736   0.1096144659  -0.7577452612
H    1.0817600185  -3.1597376787  -1.0168565688
H   -1.5597211866   1.3134474136  -2.2363452118
H   -3.0031296449   2.3177357716  -2.1059501975
H   -1.4013250413   3.0377650926  -1.9378537125
H   -2.7325852594   2.9500982126   1.5921552367
H   -3.7505348583   3.2356904748   0.1712489058
H   -2.1814359832   4.0269151330   0.3127510210
H   -4.0072346624  -1.3059269449   0.9527681115
H   -0.7324730801  -4.0065622658   0.3393227654
H    1.4431848760  -1.1207720514   2.0018406194
H   -3.0609581985  -3.5823593467   1.0404447671
H    2.3419747801   3.1598277209  -0.2676198020
H    1.8102658299   0.5974013180  -2.5810138068
H    2.6540949062   2.1154656293  -2.3151864097
H    3.5205720410   0.5904337433  -2.1921619479
H    1.3449098083   0.9832263259   3.2772934767
H    1.7752809749   3.1371476530   2.1227546912
*