//edit the following lines 

var IRfilName="hexane.jdx";
var MolfilName="hexane.mol";
var xIRVals = new Array(2962,2925,2875,2860,1468,1460,1379,725);
var wIRVals = new Array(15,20,10,10,5,5,10,10);
var IRxyzFile = new Array("mode3062_970.xyz","mode3024_095.xyz","mode3156_778.xyz","mode3097_356.xyz",
"mode1438_193.xyz","mode1410_619.xyz","mode1395_876.xyz","mode0751_933.xyz");

var ShowDesc="T";
var IRxyzDesc= new Array("asymm stretch of CH3 group (~2962 cm-1)","asymm stretch of CH2 group (~2925 cm-1)","symm stretch of CH3 group (~2875 cm-1)","symm stretch of CH2 group (~2860 cm-1)",
"asymm bend of CH3 group (~1468 cm-1)","scissors of CH2 group (~1460 cm-1)","symm bend CH3 group (~1379 cm-1)","concerted rocking mode of CH2 groups (~720 cm-1)");

var numIRPeaks=8;

var title="n-hexane";
var author="Prof Robert John Lancashire";
var address1="Department of Chemistry";
var address2="University of the West Indies"; 
var address3="Mona, Kingston 7, JAMAICA";
var lastMod="15th April, 2004";

//you should not need to edit the html files.