Calculated frequency (cm−1) | Experimental frequency (cm−1) | % error (cm−1) | IR Intensity |
144.13 | 155.4 | 7.82 | 4.57 |
177.87 | 188.45 | −5.95 | 2.50 |
300 | 325 | −8.33 | 0.078 |
370.96 | 354 | 4.499 | 1.84 |
409.62 | 425 | −3.75 | 71.19 |
464.43 | 486.43 | −4.74 | 11.99 |
511.76 | 517.34 | −1.09 | 1.11 |
517.76 | 536.23 | −3.57 | 0.51 |
524.09 | 542.43 | −3.5 | 0.26 |
583.14 | 574.32 | 1.51 | 0.13 |
611.08 | 599.23 | 1.94 | 0.94 |
660.42 | 636.23 | 3.66 | 48.72 |
712.46 | 736.34 | −3.35 | 4.03 |
749.97 | 764.32 | −1.91 | 95.48 |
762.37 | 789.54 | −3.56 | 1.10 |
765.27 | 789.43 | −3.16 | 14.81 |
812.48 | 836.43 | −2.95 | 2.72 |
852.48 | 845.65 | 0.80 | 0.27 |
912.55 | 923.67 | −1.21 | 4.31 |
965.75 | 989.32 | −2.44 | 0.018 |
1035.76 | 1012.34 | 2.26 | 40.13 |
1096.79 | 1112.54 | 7.69 | 12.14 |
1139.07 | 1154.45 | −1.35 | 8.069 |
1196.30 | 1187.32 | 0.75 | 6.677 |
1235.38 | 1223.65 | 0.95 | 17.46 |
1274.08 | 1239.31 | 2.73 | 12.17 |
1290.17 | 1265.98 | 1.87 | 5.39 |
1399.65 | 1389.43 | 0.73 | 32.75 |
1428.92 | 1412.54 | 1.15 | 35.35 |
1507.33 | 1512.43 | −033 | 22.67 |
1531.02 | 1523.32 | 0.5 | 0.20 |
1605.56 | 1623.45 | −1.11 | 4.43 |
1628.56 | 1624.45 | 0.25 | 5.95 |
3167.27 | 3138.23 | 0.92 | 13.42 |
3178.16 | 3189.21 | −0.35 | 4.72 |
3200.13 | 3223.32 | −0.72 | 6.93 |
3207.20 | 3224.54 | −0.54 | 20.80 |
3243.91 | 3268.9 | −0.77 | 4.42 |
3650.53 | 3689.34 | −1.06 | 50.07 |