Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
|
|
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
Species | Name |
---|---|
C7H16 | heptane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.121 | rg | 1 | 8 | |||
rCC | 1.534 | rg | 1 | 2 | |||
aCCC | 112.6 | rg | 1 | 2 | 4 | ||
aHCC | 109.8 | rg | 1 | 2 | 10 |