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note
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In this paper, the authors calculated a variety of vibrational properties including first and second derivatives of CN stretching modes with the MP2 method. They also found that the MP2 method implemented in the gaussian program produces unreasonably small IR intensity for the CN stretching mode. We have privately consulted with Gaussian Inc. and notified this problem. After Gaussian Inc. carried out the same calculation with MP2/6-311 ++ G**, they also found that the MP2/6-311 ++ G** method is not suitable for estimating the IR intensity of the CN stretching mode.
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