No subject

kipedia.org/wiki/Table_of_spherical_harmonics#Spherical_harmonics_with_l_.3=
D_5">http://en.wikipedia.org/wiki/Table_of_spherical_harmonics#Spherical_ha=
rmonics_with_l_.3D_5</a><br>
r^5 Y_{50} =3D constant * ( 63z^5 - 70z^3*r^2 + 15 z*r^4 )<br><br>All these=
 components, z^5, z^3x^2 etc does not appear in the output, thus is zero. (=
It could be checked by slightly distorted from Td symmetry) <br><br>Sorry f=
or reply so late, hopefully this helps............<br>
Best wishes<br>Cong Wang<br><br>Ph. D. Student<br>Department of Chemistry
<br>Laboratory for Instruction in Swedish
<br>University of Helsinki
<br>A.I. Virtanens plats 1
<br>P.O. Box 55
<br>FI-00014 University of Helsinki
<br>FINLAND

<br><br><div class=3D"gmail_quote">2010/2/25 Yulia Kalugina <span dir=3D"lt=
r"><<a href=3D"mailto:amora at list.ru" target=3D"_blank">amora at list.ru</a>=
></span><br>

<blockquote class=3D"gmail_quote" style=3D"margin: 0pt 0pt 0pt 0.8ex; borde=
r-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hello,<br>
<br>
I have calculated the multipole moments of the ch4 molecule at hf and mp2,b=
ut in the output hf values are equal to the mp2 ones.<br>
Else: for the CH4 molecule the multipole moment of the 5th order is equal t=
o zero. here it is not zero. The hf values of octupole and hexadecapole mom=
ents are not correct at all (~5 times for hexa and ~3 times for oct mom). P=
lease, help me, what I did wrong?<br>



<br>
Best regards, Yulia<br>
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<br></blockquote></div><br>

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