//edit the following lines

var IRfilName= "acetophenone.jdx";
var MolfilName= "acetophenone.xyz";

IRLinks(3101, 1, 20, 1,"symm stretch of aromatic CH group (~3100 cm-1)");
IRLinks(3086, 1, 15, 2,"asymm stretch of aromatic CH group (~3085 cm-1)");
IRLinks(3062, 1, 15, 3,"asymm stretch of CH group (~3060 cm-1)");
IRLinks(3038, 1, 10, 4,"asymm stretch of CH group (~3040 cm-1)");
IRLinks(3029, 1, 10, 5,"asymm bend of CH3 group (~3030 cm-1)");
IRLinks(3005, 1, 20, 6,"symm stretch of methyl group (~3005 cm-1)");
IRLinks(2969, 1, 30, 7,"asymm stretch of methyl group (~2970 cm-1)");
IRLinks(2921, 1, 30, 8,"symm stretch of CH group (~2920 cm-1)");
IRLinks(1684, 1, 30, 9,"Carbonyl stretching band (~1685 cm-1)");
IRLinks(1599, 1, 30, 12,"C-C of aromatic group (~1600 cm-1)");
IRLinks(1449, 1, 20, 14,"symm stretch of CH3 group (~1450 cm-1)");
IRLinks(1359, 1, 30, 16,"C-H twist of methyl group (~1360 cm-1)");
IRLinks(1265, 1, 20, 21,"scissors of aromatic C-H groups (~1265 cm-1)");
IRLinks(1180, 1, 40, 22,"scissors of CH group (~1180 cm-1)");
IRLinks(1078, 1, 30, 25,"symm stretch of CH3 group (~1080 cm-1)");
IRLinks(1025, 1, 20, 26,"symm stretch of CH group (~1025 cm-1)");
IRLinks(1001, 1, 20, 27,"asymm bend of CH3 group (~1000 cm-1)");
IRLinks(956, 1, 20, 28,"aromatic ring perturbation mode (~955 cm-1)");
IRLinks(760, 1, 20, 31,"aromatic ring perturbation mode (~760 cm-1)");
IRLinks(691, 1, 20, 33,"aromatic ring perturbation mode (~690 cm-1)");
IRLinks(588, 1, 20, 37,"concerted rocking mode of CH groups (~590 cm-1)");

var ShowDesc= "T";

var title= "acetophenone";
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 January 2008";

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