[molpro-user] symmetry error

Tatiana Korona tania at tiger.chem.uw.edu.pl
Sat May 10 19:25:54 BST 2008


You made an error in retyping geometry, see the 3rd and 4th lines from the 

H  -2.18228 0.0 -3.38497 ! the last 7 missing here
H  2.18228 0.0 -3.384977


Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND

`The man who makes no mistakes does not usually make anything.'
                                        Edward John Phelps (1822-1900)

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