29 lines
1.8 KiB
Plaintext
29 lines
1.8 KiB
Plaintext
$vibrational spectrum
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# mode symmetry wave number IR intensity selection rules
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# cm**(-1) km/mol IR RAMAN
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1 -0.00 0.00000 - -
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2 0.00 0.00000 - -
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3 0.00 0.00000 - -
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4 0.00 0.00000 - -
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5 0.00 0.00000 - -
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6 0.00 0.00000 - -
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7 a 56.18 0.54814 YES YES
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8 a 164.05 1.41142 YES YES
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9 a 230.40 0.00000 YES YES
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10 a 312.70 6.47280 YES YES
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11 a 331.25 0.00000 YES YES
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12 a 341.00 29.84199 YES YES
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13 a 406.84 0.00000 YES YES
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14 a 874.43 73.47520 YES YES
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15 a 885.27 0.00000 YES YES
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16 a 1015.77 121.16803 YES YES
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17 a 1072.01 0.00000 YES YES
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18 a 1233.61 0.00000 YES YES
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19 a 1376.73 21.32099 YES YES
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20 a 1419.56 49.12385 YES YES
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21 a 1431.33 0.00000 YES YES
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22 a 1560.58 0.00000 YES YES
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23 a 3651.41 0.00000 YES YES
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24 a 3653.40 17.97782 YES YES
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$end
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