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 55.07 0.12046 YES YES
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8 a 165.50 0.20492 YES YES
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9 a 223.23 0.00000 YES YES
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10 a 288.30 0.51566 YES YES
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11 a 289.48 0.00109 YES YES
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12 a 324.01 11.44753 YES YES
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13 a 358.24 0.00000 YES YES
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14 a 700.53 61.60945 YES YES
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15 a 722.18 206.17043 YES YES
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16 a 755.41 0.00011 YES YES
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17 a 778.46 0.00027 YES YES
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18 a 1026.59 0.00018 YES YES
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19 a 1212.75 10.79380 YES YES
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20 a 1218.50 26.11793 YES YES
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21 a 1227.42 0.00147 YES YES
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22 a 1337.35 0.00000 YES YES
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23 a 3126.46 0.00000 YES YES
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24 a 3139.96 5.13673 YES YES
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$end
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