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18 10 26 16 45

MP2/daug-cc-pVDZ for rCN

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


Differences greater than 0.080 are in the 0.080 bin. Differences less than -0.040 are in the -0.040 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.040 -0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CN Cyano radical-0.033
Most positive difference C2H2N2O Furazan0.035

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CN Cyano radical 1.172 -0.033
CH3NH2 methyl amine 1.471 0.001
CH3CSNH2 Ethanethioamide 1.356 0.004
CH2NH Methanimine 1.273 0.017
HNCNH diiminomethane 1.224 0.018
HCNO fulminic acid 1.168 0.023
HCN Hydrogen cyanide 1.156 0.027
CH3CN Acetonitrile 1.157 0.028
BrCN Cyanogen bromide 1.158 0.033
C2H5CN ethyl cyanide 1.153 0.033
C2H2N2O Furazan 1.303 0.035