分子几何构型和振动基频对计算条件不太敏感，总能量和键能对计算结果较敏感。
The molecular geometry and the fundamental vibrational frequency are insensitive to the computation conditions, while the total energy and bond energy are pretty sensitive.
用AM 1半经验方法，优化了吲哚和苯酚中性分子、正离子自由基和负离子自由基的几何构型。
The geometries of neutral indole and phenol, as well as their cation radicals and anion radicals, have been optimized by using AM1 method.
着重研究5 -甲氧基吲哚、5 -甲基吲哚和5 -氯吲哚的稳定几何构型和分子中各原子上的电荷分布。
We mainly study stable molecular geometries and atomic charge distributing of 5-methoxy indole 5-methyl indole and 5-chlorin indole.
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