For all optimized configurations, there is no imaginary frequence in the vibrational analysis.
利用能量梯度法优化构型，对各优化的构型作振动分析，均未出现虚频率。
The equilibrium states and the transition state have been verified according to the number of imaginary frequency through vibrational analysis.
通过振动分析对平衡态和过渡态进行了验证，并得到了零点能。
The thermodynamic properties at different temperatures were obtained from vibrational analysis, and the relationship between temperature and thermodynamic properties was deducted.
经振动分析获得二硝基脲在不同温度下的热力学性质，并得到温度对热力学性能影响的关系式。
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