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<DIV><FONT face=Arial size=2>Is it possible to do a frequency calculation with
atoms dummied out?</FONT></DIV>
<DIV><FONT face=Arial size=2>For example when using additional bond
functions.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I cant get the additional basis functions when I
put them on X or Q dummy atoms</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I get the error:</FONT></DIV>
<DIV><FONT face=Arial size=2> Incrementing variable
CX by +/- 0.010 BOHR<BR> ILLEGAL DUMMY
ATOM: 5<BR> CURRENT STACK:
MAIN<BR></FONT></DIV>
<DIV><FONT face=Arial size=2>thanks</FONT></DIV>
<DIV><FONT face=Arial size=2> </DIV></FONT>
<DIV><FONT face=Arial size=2>___________________________<BR>Jeremy
Merritt<BR>Graduate Student, Roger Miller lab<BR>University of North
Carolina<BR>Chapel Hill</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial
size=2>Voice:919-962-1579<BR>Fax:919-843-6041</FONT></DIV></BODY></HTML>