return to home page 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

Compare Bonds

18 10 26 16 45

BLYP/daug-cc-pVDZ for rSiH

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference SiH4 Silane0.021
Most positive difference Si2H2 disilyne0.038

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
SiH4 Silane 1.480 0.021
SiH3Cl chlorosilane 1.475 0.021
SiH3F monofluorosilane 1.476 0.021
SiHF3 trifluorosilane 1.449 0.027
SiH2F2 difluorosilane 1.462 0.028
HSiCl Chlorosilylene 1.525 0.029
Si2H6 disilane 1.470 0.034
HSiBr monobromosilylene 1.518 0.035
SiH3 Silyl radical 1.468 0.036
SiH Silylidyne 1.520 0.037
Si2H2 disilyne 1.668 0.038