[Open Babel] Orca file coordiniates are different from Chemcraft

Hi there. I've a orca .out file. If I open it in Chemcraft, the coordinates of first atom is -0.008, -0.011, 0.953. But when I open the same file in Open Babel and convert it to xyz the coordinates of the same atom is 0.00771, 0.00999, 3.67056. Why their coordinates are different? which one is cor

Re: [Open Babel] Orca file coordiniates are different from Chemcraft

> I've a orca .out file. If I open it in Chemcraft, the coordinates of first > atom is -0.008, -0.011, 0.953. > But when I open the same file in Open Babel and convert it to xyz the > coordinates of the same atom is 0.00771, 0.00999, 3.67056. It would really help to see the actual Orca file. -Ge

Re: [Open Babel] Orca file coordiniates are different from Chemcraft

Here is the .out file. http://www.filedropper.com/1ta3-1scanconoformationm2 -- View this message in context: http://forums.openbabel.org/Orca-file-coordiniates-are-different-from-Chemcraft-tp4659710p4659725.html Sent from the General disc