Vibrational Modes of 1,7 dimethyl naphthalene


Level of Theory : B3LYP/6-31G(d,p)


Scale Factor : 0.961


Frequency unit : 1/cm

 


1                     91.2
Scaled : 87.6
2                     104.5
Scaled : 100.4
3                     160.3
Scaled : 154.0

4                     180.9
Scaled : 173.9
5                     219.0
Scaled : 210.5
6                     224.7
Scaled : 215.9

7                     305.9
Scaled : 294.0
8                     346.5
Scaled : 333.0
9                     424.5
Scaled : 407.9

10                     427.4
Scaled : 410.8
11                     476.1
Scaled : 457.5
12                     512.0
Scaled : 492.0

13                     525.6
Scaled : 505.1
14                     547.0
Scaled : 525.7
15                     553.1
Scaled : 531.5

16                     648.8
Scaled : 623.5
17                     712.8
Scaled : 685.0
18                     729.2
Scaled : 700.7

19                     768.8
Scaled : 738.8
20                     794.0
Scaled : 763.0
21                     843.0
Scaled : 810.1

22                     866.2
Scaled : 832.4
23                     896.2
Scaled : 861.3
24                     912.9
Scaled : 877.3

25                     918.3
Scaled : 882.5
26                     967.9
Scaled : 930.1
27                     978.3
Scaled : 940.2

28                     998.1
Scaled : 959.2
29                     1027.0
Scaled : 987.0
30                     1065.0
Scaled : 1023.4

31                     1066.6
Scaled : 1025.0
32                     1082.5
Scaled : 1040.3
33                     1105.7
Scaled : 1062.6

34                     1180.9
Scaled : 1134.8
35                     1190.8
Scaled : 1144.3
36                     1221.2
Scaled : 1173.5

37                     1245.7
Scaled : 1197.1
38                     1276.3
Scaled : 1226.5
39                     1296.1
Scaled : 1245.6

40                     1373.5
Scaled : 1320.0
41                     1410.5
Scaled : 1355.5
42                     1422.4
Scaled : 1366.9

43                     1426.5
Scaled : 1370.9
44                     1427.8
Scaled : 1372.1
45                     1480.6
Scaled : 1422.9

46                     1489.3
Scaled : 1431.2
47                     1496.0
Scaled : 1437.7
48                     1497.0
Scaled : 1438.6

49                     1514.9
Scaled : 1455.9
50                     1519.0
Scaled : 1459.7
51                     1557.5
Scaled : 1496.7

52                     1633.2
Scaled : 1569.5
53                     1659.7
Scaled : 1594.9
54                     1684.4
Scaled : 1618.7

55                     3035.0
Scaled : 2916.6
56                     3035.5
Scaled : 2917.1
57                     3087.5
Scaled : 2967.1

58                     3088.3
Scaled : 2967.9
59                     3125.6
Scaled : 3003.7
60                     3126.7
Scaled : 3004.8

61                     3169.1
Scaled : 3045.5
62                     3172.9
Scaled : 3049.1
63                     3180.1
Scaled : 3056.1

64                     3187.9
Scaled : 3063.5
65                     3194.6
Scaled : 3070.0
66                     3200.2
Scaled : 3075.4

These movies were created by Mohamad Kassaee and David Keffer in the Department of Chemical Engineering at the University of Tennessee, using a combination of Gaussian98 and home-made codes. Please do not reproduce them without our consent. We can be reached via email at dkeffer@utk.edu.