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 55.45 0.12095 YES YES
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8 a 165.97 0.31496 YES YES
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9 a 223.33 0.00000 YES YES
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10 a 287.82 0.59235 YES YES
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11 a 288.87 0.00395 YES YES
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12 a 324.20 12.13754 YES YES
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13 a 357.32 0.00000 YES YES
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14 a 698.97 65.86196 YES YES
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15 a 720.17 210.21445 YES YES
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16 a 754.06 0.00124 YES YES
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17 a 776.03 0.00097 YES YES
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18 a 1028.34 0.00055 YES YES
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19 a 1210.90 13.30317 YES YES
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20 a 1215.45 26.66765 YES YES
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21 a 1224.17 0.00569 YES YES
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22 a 1336.91 0.00003 YES YES
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23 a 3129.51 0.00000 YES YES
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24 a 3143.37 3.71177 YES YES
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$end
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