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18 10 26 16 45

CCD/daug-cc-pVDZ for rCN

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


Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.030 are in the -0.030 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
-0.030 -0.025 -0.020 -0.015 -0.010 -0.005 -0.000 0.005 0.010 0.015 0.020 0.025 0.030
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CN Cyano radical-0.028
Most positive difference C2H5CN ethyl cyanide0.016

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CN Cyano radical 1.172 -0.028
CH3CSNH2 Ethanethioamide 1.356 -0.001
CH3NH2 methyl amine 1.471 0.003
C2H2N2O Furazan 1.303 0.009
CH2NH Methanimine 1.273 0.010
HCN Hydrogen cyanide 1.156 0.011
CH3CN Acetonitrile 1.157 0.011
BrCN Cyanogen bromide 1.158 0.013
HNCNH diiminomethane 1.224 0.013
C2H5CN ethyl cyanide 1.153 0.016