endo-TS1 replicating G03 lit calc( Lit: E = -823.545644624, G = -823.400723), Single point at lit geometry, sphere 13, 2e integrals: -14, SCF acc -10 , E = -823.545644658, G =-823.400166. GN 0.001477270
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下载链接：
https://data.hpc.imperial.ac.uk/resolve/?doi=12806
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资源简介：
Gaussian 16 (C01) calculation. Increaded SCF and integral accuracy has only a small effect.
提供机构：
Imperial College London
创建时间：
2023-07-05
