Changed frequencies of the Nitro group (statmech groups.py) #108
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I nominate @cfgold to review this 😉 |
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…oup was originally assigned 6 frequencies, while it is only allowed a maximum of 5 (see https://dspace.mit.edu/handle/1721.1/59876). The weakest frequency range of 1545-1555 1/cm was hence removed.
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In statmech groups.py I changed the frequencies of the Nitro (R-NO2) group. This group was originally assigned 6 frequencies, while it is only allowed a maximum of 5 (see https://dspace.mit.edu/handle/1721.1/59876). The weakest frequency range of 1545-1555 1/cm was hence removed.