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18 10 26 16 45

MP2/aug-cc-pVQZ for rCN

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


Differences greater than 0.070 are in the 0.070 bin. Differences less than -0.050 are in the -0.050 bin.

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

  Species Name Difference (Å)
Most negative difference CN Cyano radical-0.049
Most positive difference C2H2N2O Furazan0.019

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CN Cyano radical 1.172 -0.049
CH3NO nitrosomethane 1.482 -0.012
CH3NH2 methyl amine 1.471 -0.011
CH3NO2 Methane, nitro- 1.489 -0.007
CH2NOH formaldoxime 1.276 -0.002
CH2NH Methanimine 1.273 0.000
HNCNH diiminomethane 1.224 0.001
CHONH2 formamide 1.350 0.005
HCNO fulminic acid 1.168 0.006
HCN Hydrogen cyanide 1.156 0.008
CN- cyanide anion 1.177 0.010
ZnCN Zinc monocyanide 1.142 0.014
BrCN Cyanogen bromide 1.158 0.015
C2H5CN ethyl cyanide 1.153 0.015
C2N2 Cyanogen 1.154 0.019
C2H2N2O Furazan 1.303 0.019