Possible error in the manual

Questions
#1

On page 1166, Examples 12.8 and 12.9 for EDA calculations are identical. 12.8 should be for the binding energy between the water molecules in a tetramer. However, it is actually identical to 12.9 which is Na+ interacting with the methyl radical.

#2

Thanks for pointing this out, I will fix it for the 6.1 release. In the meantime, here is the example that was intended:

$molecule
0 1
--
0 1
O          -0.106357    0.087598    0.127176
H           0.851108    0.072355    0.136719
H          -0.337031    1.005310    0.106947
--
0 1
O           2.701100   -0.077292   -0.273980
H           3.278147   -0.563291    0.297560
H           2.693451   -0.568936   -1.095771
--
0 1
O           2.271787   -1.668771   -2.587410
H           1.328156   -1.800266   -2.490761
H           2.384794   -1.339543   -3.467573
--
0 1
O          -0.518887   -1.685783   -2.053795
H          -0.969013   -2.442055   -1.705471
H          -0.524180   -1.044938   -1.342263
$end

$rem
   JOBTYPE         EDA
   EDA2            FALSE
   METHOD          EDF1
   BASIS           6-31(+,+)g(d,p)
   PURECART        1112
   FRGM_METHOD     GIA
   FRGM_LPCORR     RS_EXACT_SCF
   EDA_BSSE        TRUE
$end
#3

Thanks John. I’ll update my copy.

#4

It’s already update in the LaTeX manual that’s under version control, but only gets published to the website when we do a release.