53 lines
3.4 KiB
Plaintext
53 lines
3.4 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 211.77 12.80213 YES YES
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8 a 244.28 0.00776 YES YES
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9 a 369.26 64.79741 YES YES
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10 a 404.40 4.12646 YES YES
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11 a 430.58 6.07961 YES YES
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12 a 552.16 0.06736 YES YES
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13 a 581.66 0.56508 YES YES
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14 a 617.02 5.84284 YES YES
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15 a 618.30 1.14573 YES YES
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16 a 722.03 36.11118 YES YES
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17 a 749.17 82.67066 YES YES
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18 a 775.19 18.41677 YES YES
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19 a 775.57 2.31524 YES YES
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20 a 850.88 0.07650 YES YES
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21 a 853.24 2.48368 YES YES
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22 a 888.77 0.35518 YES YES
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23 a 911.88 6.71094 YES YES
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24 a 917.85 1.35934 YES YES
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25 a 945.27 0.00745 YES YES
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26 a 1034.17 6.41052 YES YES
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27 a 1089.31 9.16645 YES YES
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28 a 1109.64 23.19871 YES YES
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29 a 1143.21 0.17895 YES YES
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30 a 1175.85 1.31981 YES YES
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31 a 1224.71 3.11181 YES YES
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32 a 1270.42 9.67256 YES YES
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33 a 1296.94 18.01554 YES YES
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34 a 1362.86 23.15426 YES YES
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35 a 1386.40 6.85094 YES YES
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36 a 1443.95 17.78579 YES YES
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37 a 1482.47 20.75938 YES YES
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38 a 1526.33 2.30008 YES YES
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39 a 1549.64 5.43293 YES YES
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40 a 1616.04 1.35800 YES YES
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41 a 1656.92 2.78150 YES YES
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42 a 3161.30 1.75842 YES YES
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43 a 3167.50 2.84369 YES YES
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44 a 3177.97 28.95085 YES YES
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45 a 3189.41 16.90672 YES YES
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46 a 3237.01 1.22352 YES YES
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47 a 3255.37 2.50810 YES YES
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48 a 3661.21 68.55510 YES YES
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$end
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