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<div class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><span lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: Arial; mso-font-kerning: 0pt">There are two questions in my work:
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<div class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><span lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: Arial; mso-font-kerning: 0pt">Firstly, is the second-order perturbation for the energy being taken into consideration in the MOLPRO program when I do a spin-orbit coupling calculation?
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<div class="MsoNormal" style="MARGIN: 0cm 0cm 0pt; TEXT-ALIGN: left; mso-pagination: widow-orphan" align="left"><span lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: Arial; mso-font-kerning: 0pt">Secondly, what do the coefficients mean in the Electron Obitals' part in the output file after a ROHF calculation using ANO basis set? Also, the Natural Orbital's coefficients in the MCSCF output and MRCI output, what do they mean? 
</span><span lang="EN-US" style="FONT-SIZE: 12pt; FONT-FAMILY: Arial; mso-fareast-font-family: 宋体; mso-ansi-language: EN-US; mso-fareast-language: ZH-CN; mso-bidi-language: AR-SA">If I want to analyse the weight of atomic orbitals composing one molecular orbital, which one of the above mentioned coefficients should i used?
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Thanks for any reply.</span></div>
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mingwei</span></div>
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