! 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    2.3560840041   0.6623482832   1.0195129739
O    0.4983321302   1.5948996196  -0.9797622472
O    3.6108636310   1.1988809160  -0.7469091267
N    0.5879546065  -0.6176001965  -0.6269301435
C    2.0100233153  -0.5763582398  -0.9704734980
C   -0.0934907454  -1.8704458872  -0.5618709710
C   -0.4910923849  -2.4726343266  -1.7633864581
C   -0.3356130417  -2.4783232322   0.6722835764
C   -0.0793640723   0.5635647301  -0.6750849074
C   -1.5523141041   0.5706302876  -0.3212678607
C    2.7238574672  -1.8825597117  -0.6421929573
C    2.7265809204   0.5530226912  -0.2437531836
C   -1.1416105021  -3.6992486069  -1.7089936871
C   -0.9914467160  -3.7082047668   0.6847727568
C   -1.9180195295   1.8354015188   0.4043299629
C   -0.2057607615  -1.8331001559  -3.0896844511
C    0.0457274867  -1.8453485715   1.9765337277
C   -1.3903668587  -4.3152861785  -0.4918217719
C   -1.3968202285   2.0821062105   1.6735614071
C   -2.7746046072   2.7723216964  -0.1598070621
C   -1.7302353518   3.2362371351   2.3641461377
C   -3.1129209036   3.9305690680   0.5304508128
C   -2.5925241931   4.1655222875   1.7939394457
C    2.9309488177   1.7186919825   1.7848597928
H    2.1335667924  -0.3688192580  -2.0376271172
H   -1.8293749417  -0.2987083001   0.2748624733
H   -2.1186807236   0.4898142202  -1.2538489677
H    3.7817700830  -1.7836339518  -0.8848391275
H    2.6409813139  -2.1437733266   0.4125464715
H    2.3359011463  -2.7112433553  -1.2323514245
H   -1.4566654824  -4.1758543705  -2.6291458123
H   -1.1893318558  -4.1913789475   1.6342329953
H   -0.4498938777  -0.7704488476  -3.1116018992
H    0.8487166565  -1.9257262593  -3.3616515196
H   -0.7798023916  -2.3138513423  -3.8807736876
H   -0.8409060342  -1.4853100318   2.5039074676
H    0.5249947864  -2.5727762849   2.6327555877
H    0.7234573002  -1.0053591643   1.8588849626
H   -1.8978180917  -5.2709942558  -0.4632291701
H   -0.7194648306   1.3673270073   2.1283949503
H   -3.1852307565   2.5986897865  -1.1473276679
H   -1.3172785326   3.4119458423   3.3492709759
H   -3.7833470738   4.6492705724   0.0767891241
H   -2.8554381907   5.0664439596   2.3331108561
H    2.4905299391   1.6446768258   2.7751213691
H    2.6883100171   2.6919648868   1.3580553157
H    4.0132475060   1.6175026201   1.8645354473
*