CPPa9rfo

StrinViz inputs and outputs of [9+1]CPP generated by Gaussian09 geometry optimization using B3LYP/6-31G(d,p) and "opt=rfo NoSymm" as keywords.本数据集包含[9+1]环对苯撑（[9+1]CPP）经高斯09（Gaussian09）以B3LYP/6-31G(d,p)及关键词"opt=rfo NoSymm"进行几何优化所生成的StrinViz输入与输出文件。