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 |
---|---|
CCl2O | Phosgene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCCl | 1.737 | 1998Kuc | re value | 2 | 3 | ||
rCO | 1.177 | 1998Kuc | re value | 1 | 2 | ||
aClCCl | 111.9 | 1998Kuc | 3 | 2 | 4 | ||
aOCCl | 124.0 | 1998Kuc | by symmetry | 1 | 2 | 3 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |