<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; ">so the problem is the localization section and not the MOLECULAR_STATES section...<DIV><BR class="khtml-block-placeholder"></DIV><DIV>I added a new keyword (MOLECULAR_DIPOLES, it's a logical) inside the PRINT%LOCALIZATION..</DIV><DIV>By default is true (so that the preceding behavior is not changed)..</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>you will see a name with a slightly changed name and with the index as desired</DIV><DIV>teo</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV><DIV><DIV>On 27 May 2007, at 20:44, lmliu wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite"><SPAN class="Apple-style-span" style="border-collapse: separate; border-spacing: 0px 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: auto; -khtml-text-decorations-in-effect: none; text-indent: 0px; -apple-text-size-adjust: auto; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px; ">output (old name, MOLECULAR_STATES, and new Name :MOLECULAR_DIPOLES)<BR> # molecule nr, charge, dipole vector, dipole (Debye)<BR> 1 1.000000 -0.000300 -0.005936 -0.006608 0.008888<SPAN class="Apple-converted-space"> </SPAN><BR> 2 1.000000 0.000103 -0.001241 0.016325 0.016373<BR></SPAN></BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>