<html><head></head><body><div style="color:#000; background-color:#fff; font-family:Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1511181693692_133587"><span></span></div><div id="yui_3_16_0_ym19_1_1511181693692_133588"><div id="yui_3_16_0_ym19_1_1511181693692_133621"> Dear Friends,</div><div id="yui_3_16_0_ym19_1_1511181693692_137459"><br></div><div id="yui_3_16_0_ym19_1_1511181693692_137474">We thank for your participation in the discussion.<br></div><div id="yui_3_16_0_ym19_1_1511181693692_133604"><br></div><div id="yui_3_16_0_ym19_1_1511181693692_133605">It is outcome of our earlier discussion that in the two sets of coordinates for H2CS molecule:</div><div id="yui_3_16_0_ym19_1_1511181693692_135520"><br></div><div dir="ltr" id="yui_3_16_0_ym19_1_1511181693692_135459"> Nr Atom Charge X Y Z<br id="yui_3_16_0_ym19_1_1511181693692_135502"><br id="yui_3_16_0_ym19_1_1511181693692_135503"> 1 H1 1.00 0.000000000 1.765967499 -2.745177896<br id="yui_3_16_0_ym19_1_1511181693692_135504"> 2 H2 1.00 0.000000000 -1.765967499 -2.745177896<br id="yui_3_16_0_ym19_1_1511181693692_135505"> 3 C 6.00 0.000000000 0.000000000 -1.634732411<br id="yui_3_16_0_ym19_1_1511181693692_135506"> 4 S 16.00 0.000000000 0.000000000 1.455909829<br id="yui_3_16_0_ym19_1_1511181693692_135507"><br id="yui_3_16_0_ym19_1_1511181693692_135508"><br id="yui_3_16_0_ym19_1_1511181693692_135513"> Nr Atom Charge X Y Z<br id="yui_3_16_0_ym19_1_1511181693692_135514"><br id="yui_3_16_0_ym19_1_1511181693692_135515"> 1 H1 1.00 0.000000000 1.765973450 -3.050725593<br id="yui_3_16_0_ym19_1_1511181693692_135516"> 2 H2 1.00 0.000000000 -1.765973450 -3.050725593<br id="yui_3_16_0_ym19_1_1511181693692_135517"> 3 C 6.00 0.000000000 0.000000000 -1.940275913<br id="yui_3_16_0_ym19_1_1511181693692_135518"> 4 S 16.00 0.000000000 0.000000000 1.150376265<br id="yui_3_16_0_ym19_1_1511181693692_135519"><br></div></div><div id="yui_3_16_0_ym19_1_1511181693692_133603" class="signature"><div id="yui_3_16_0_ym19_1_1511181693692_133602"><div id="yui_3_16_0_ym19_1_1511181693692_133601"><div id="yui_3_16_0_ym19_1_1511181693692_135560" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3">the center-of-mass is shifted along the z-axis. Now, the point under consideration is: <font id="yui_3_16_0_ym19_1_1511181693692_137881" color="#cd232c">Where is the origin of coordinate system employed in the MOLPRO</font>. <br></font></div><div id="yui_3_16_0_ym19_1_1511181693692_137901" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3"><br></font></div><div id="yui_3_16_0_ym19_1_1511181693692_137889" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3">Our aim is to calculate the interaction potential between the H2CS and He atom. We shall use spherical coordinates for He atom assuming that the He is being placed with respect to the origin being used in the MOLPRO. We do not know which set of coordinates for atoms of H2CS be used for calculation of interaction potential, where the coordinates of constituent atoms of H2CS would be kept fix. <br></font></div><div id="yui_3_16_0_ym19_1_1511181693692_137938" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3"><br></font></div><div id="yui_3_16_0_ym19_1_1511181693692_137941" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3">How to ensure that the origin of the coordinates of H2CS would coincide with the origin of coordinates of He atom, as we have two different sets for the coordinates of constituent atoms of H2CS. </font></div><div id="yui_3_16_0_ym19_1_1511181693692_137956" dir="ltr"><br></div><div id="yui_3_16_0_ym19_1_1511181693692_137959" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3">Hoping your encouraging response. <br></font></div><div id="yui_3_16_0_ym19_1_1511181693692_135562" dir="ltr"><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3"><br></font></div><font id="yui_3_16_0_ym19_1_1511181693692_133654" color="#000000" face="comic sans ms" size="3"><span id="yui_3_16_0_ym19_1_1511181693692_133653" style="font-weight:bold;">With regards,</span></font></div><div id="yui_3_16_0_ym19_1_1511181693692_133629"><span id="yui_3_16_0_ym19_1_1511181693692_133652" style="font-weight:bold;"> </span></div><div id="yui_3_16_0_ym19_1_1511181693692_133623"><font id="yui_3_16_0_ym19_1_1511181693692_133622" style="font-weight:bold;" face="comic sans ms" size="3">Prof. Suresh Chandra,<br><br>Deputy Director & Professor,<br>Amity Centre for Astronomy & Astrophysics,<br>Amity Institute of Applied Sciences,<br>Amity University, Sector-125, <br>NOIDA 201313, U.P., India<br><br>Email: schandra2@amity.edu;<br> suresh492000@yhoo.co.in<br><br>Mob. +91-9818005663, 8368908608<br></font></div>=========================================</div><span style="background-color:rgb(255, 255, 255);font-weight:bold;">Alexander von Humboldt Fellow (Germany),<br>Former Director, School of Physical Sciences,<br>S.R.T.M. University, Nanded (Maharashtra)</span></div></div></body></html>