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PED

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abbreviation of: e:\nitrogen\soft\veda4\n4.ved
diagonality factor = 54.37    = 61.37
    IR      CM-1
89321.57   s1 11   s2 12   s3 58   s4 19
37794.90   s1 66   s3 -14
10900.37   s5 77   s6 10
-8762.00   s5 -14   s6 84
-23139.69   s2 -31   s3 26   s4 -38
-46755.59   s1 -14   s2 -44   s4 39

Frequencies/PED calculated by Veda
definitions of modes e:\nitrogen\soft\veda4\n4.dd2
s  1   STRE NN   f89322 11   f37795 66   f46756 -14
s  2   STRE NN   f89322 12   f23140 -31   f46756 -44
s  3   STRE NN   f89322 58   f37795 -14   f23140 26
s  4   BEND NNN   f89322 19   f23140 -38   f46756 39
s  5   BEND NNN   f10900 77   f8762 -14
s  6   OUT  NNNN   f10900 10   f8762 84£»
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4Â¥2009-09-29 09:48:30
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gwdavid(½ð±Ò+1,VIP+0):лл 9-29 15:57
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