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 55.74 0.11514 YES YES
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8 a 169.40 0.56986 YES YES
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9 a 227.23 0.00000 YES YES
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10 a 288.88 0.00000 YES YES
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11 a 292.72 1.00856 YES YES
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12 a 325.61 15.59860 YES YES
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13 a 359.96 0.00000 YES YES
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14 a 701.25 75.85509 YES YES
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15 a 726.93 230.56205 YES YES
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16 a 760.20 0.00001 YES YES
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17 a 784.13 0.00000 YES YES
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18 a 1031.74 0.00000 YES YES
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19 a 1229.91 16.55996 YES YES
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20 a 1252.03 38.70235 YES YES
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21 a 1260.69 0.00000 YES YES
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22 a 1362.34 0.00000 YES YES
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23 a 3161.50 0.00000 YES YES
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24 a 3173.46 1.82874 YES YES
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$end
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