//edit the following lines 

var IRfilName="etbenzIR.jdx";
var HNMRfilName="etbenzHNMR.jdx";
var CNMRfilName="etbenzCNMR.jdx";
var MolfilName="etbenzoate.mol";
var xIRVals = new Array(3090,3063,3034,2982,2938,2906,2874,1718,1679,1603,1584,1492,1450,1391,1367,1314,1270,1176,1110,1070,1028,1002,935,870,848,806,782,713,685,673,617);
var wIRVals = new Array(10,10,10,15,20,10,10,20,5,5,5,5,20,8,8,5,30,15,25,5,5,5,5,8,8,8,8,10,5,5,5);
var IRxyzFile = new Array("mode3199_225.xyz","mode3190_687.xyz","mode3184_511.xyz","mode3180_797.xyz","mode3094_224.xyz","mode3072_824.xyz","mode3031_290.xyz","mode2074_468.xyz","mode1776_552.xyz","mode1761_287.xyz","mode1634_564.xyz","mode1563_980.xyz","mode1511_794.xyz","mode1431_025.xyz","mode1414_939.xyz","mode1368_127.xyz","mode1309_990.xyz","mode1237_797.xyz","mode1162_954.xyz","mode1154_960.xyz","mode1090_277.xyz","mode1012_084.xyz","mode0990_781.xyz","mode0962_907.xyz","mode0891_219.xyz","mode0865_605.xyz","mode0852_109.xyz","mode0821_857.xyz","mode0738_142.xyz","mode0700_405.xyz","mode0653_618.xyz");
var numIRPeaks=31;
var HNscripts = new Array("select atomno=19 or atomno=20 or atomno=21","select atomno=17 or atomno=18","select atomno=13 or atomno=15","select atomno=14","select atomno=12 or atomno=16");
var xHNVals = new Array(1.35,4.35,7.4,7.5,8.05);
var wHNVals = new Array(0.07,0.07,0.07,0.08,0.07);
var numHNPeaks=5;
var CNscripts = new Array("select atomno=11","select atomno=10","select atomno=3 or atomno=5","select atomno=2 or atomno=6","select atomno=1","select atomno=4","select atomno=7");
var xCNVals = new Array(14,60,128,129,130,132,166);
var wCNVals = new Array(1,1,1,1,1,1,1);
var numCNPeaks=7;


var title="ethylbenzoate";
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="11th July, 2003";

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