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18 10 26 16 45

CCSD/6-311G** for rCN

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


Differences greater than 1.100 are in the 1.100 bin. Differences less than -0.100 are in the -0.100 bin.

histogram chart 18
histogram chart 16 histogram chart
histogram chart 14 histogram chart
histogram chart 12 histogram chart
histogram chart 10 histogram chart
histogram chart 8 histogram chart
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart
-0.100 0.000 0.100 0.200 0.300 0.400 0.500 0.600 0.700 0.800 0.900 1.000 1.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CHSNH2 thioformamide-0.012
Most positive difference C2H4O3 trioxolane1240.872

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CHSNH2 thioformamide 1.358 -0.012
HCNO fulminic acid 1.168 -0.006
CH3CSNH2 Ethanethioamide 1.356 -0.003
CH3NH2 methyl amine 1.471 -0.003
HNCS Isothiocyanic acid 1.207 -0.001
CH(CN)3 tricyanomethane 1.158 0.000
C2H2N2O Furazan 1.303 0.001
HCN Hydrogen cyanide 1.156 0.002
CH3CN Acetonitrile 1.157 0.002
CN Cyano radical 1.172 0.002
CH2NN diazomethane 1.300 0.003
CH2NH Methanimine 1.273 0.003
BrCN Cyanogen bromide 1.158 0.004
HNCNH diiminomethane 1.224 0.005
C4H5N Pyrrole 1.370 0.005
C2H3NO Nitrosoethylene 1.439 0.006
CH3NO2 Methane, nitro- 1.489 0.007
C2H5CN ethyl cyanide 1.153 0.007
C2H4O3 trioxolane124 1.303 0.872