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<DIV><FONT size=2>Dear molpro user,</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>In my work, i try to get the normal mode coordinates of a
molecule by molpro, but when i compare the result get from molpro with
from Gaussian98 code, I find the different results ! </FONT>
<DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>For example: O--C--S (linear molecule), V3
antisymmetry normal mode (Q3) : </FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>in Gaussian: Q3: -0.50 Oz + 0.86 Cz - 0.07
Sz ( molecule located Z axis)</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>in molpro: Q3: -0.14098 Oz + 0.2364 Cz
-0.01822 Sz</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Can you give me some suggestions?</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>thanks in advance!</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Eryin Feng</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>department of physics,</FONT></DIV>
<DIV><FONT size=2>Anhui normal
university,China</FONT></DIV></DIV></DIV></FONT></DIV></BODY></HTML>