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 46.45 0.47385 YES YES
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8 a 149.51 1.11327 YES YES
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9 a 207.31 0.00000 YES YES
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10 a 275.87 4.74837 YES YES
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11 a 289.26 0.00001 YES YES
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12 a 305.15 24.11541 YES YES
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13 a 360.13 0.00000 YES YES
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14 a 763.17 66.17791 YES YES
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15 a 784.53 0.00000 YES YES
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16 a 860.26 142.12651 YES YES
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17 a 903.39 0.00000 YES YES
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18 a 1072.82 0.00000 YES YES
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19 a 1237.38 12.99960 YES YES
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20 a 1260.35 28.44703 YES YES
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21 a 1268.24 0.00000 YES YES
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22 a 1387.45 0.00000 YES YES
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23 a 3362.77 0.00000 YES YES
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24 a 3368.52 9.39002 YES YES
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$end
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