Abstract Vibrational scale factors were determined for the M06-2X method. The calculated scale factors were supported statistically. The main objective is to determine the concordance between frequencies. Descriptive statistics of the experimental and corrected frequencies are given. The relationship between corrected and experimental frequencies is formed by a simple linear regression method. The Concordance Correlation Coefficient determines the consistency between the two variables. It evaluates the direct relationship between X and Y variables measured under constraints. Also, the difference between the mean of the two variables was tested. All results are interpreted and presented with their graphs.

中文翻译：

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在 M06-2X 中计算的振动频率的比例因子数据库，DFT 方法之一

摘要 确定了 M06-2X 方法的振动比例因子。计算出的比例因子得到统计支持。主要目标是确定频率之间的一致性。给出了实验频率和校正频率的描述性统计。校正频率和实验频率之间的关系是通过简单的线性回归方法形成的。一致性相关系数决定了两个变量之间的一致性。它评估在约束条件下测量的 X 和 Y 变量之间的直接关系。此外，还测试了两个变量的平均值之间的差异。所有结果都被解释并用它们的图表呈现。