Optimized structures of selected stationary points on the potential energy surface of the HC3N + CN reaction

This Zip file contains the cartesian coordinates of optimized stationary points of the HC3N + CN potential energy surface published in our article “Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction” (Molecules 2022, 27(7), 2297), that can be found in https://doi.org/10.3390/molecules27072297 . All calculations have been performed with Gaussian 09, Revision D.01. All structures have been optimized at M06-2X/6-311+G(d,p) level of theory.本ZIP压缩包包含HC₃N + CN势能面（potential energy surface）优化驻点的笛卡尔坐标（Cartesian coordinates），相关内容已发表于我们的论文《Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction》（刊载于期刊*Molecules* 2022年第27卷第7期，文章编号2297），可通过链接https://doi.org/10.3390/molecules27072297获取该论文。 所有计算均采用Gaussian 09 修订版D.01完成。 所有结构均在M06-2X/6-311+G(d,p)理论级别下完成优化。