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</o:shapelayout></xml><![endif]--></head><body lang=KO link=blue vlink=purple><div class=WordSection1><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US>Dear all,<o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US>I am optimizing I2CO2 vdw cluster in HF/aug-cc-pvtz(-pp) and C2v point group. Whenever it stops, following message is given <o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US>“? Error<o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US> ? Symmetry problem<o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US> ? The problem occurs in zmatrix.f:zmat_orient”<o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US>Is there anyone to help me to solve this problem?<o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US>Please see the next geometry specification.<o:p></o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal style='text-indent:5.0pt'><span lang=EN-US>B1=4.6199965<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> B2=2.69842524<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> B3=1.13624412<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> B4=1.13624412<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> A1=73.02001729<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> A2=90.09238926<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> A3=90.09238926<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> D1=90.02821097<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> D2=179.94357807<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US>geometry={<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> I1, <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> C1, I1, B1<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> I2, I1, B2, C1, A1,<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> O1, C1, B3, I1, A2, I2, D1, 0 <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US> O2, C1, B3, I1, A2, O1, D2, 0 <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US>}<o:p></o:p></span></p></div></body></html>