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18 10 26 16 45

CCSD(T)/aug-cc-pVTZ for rCN

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


Differences greater than 0.012 are in the 0.012 bin. Differences less than -0.012 are in the -0.012 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.012 -0.010 -0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CHSNH2 thioformamide-0.012
Most positive difference C2N2 Cyanogen0.011

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CHSNH2 thioformamide 1.358 -0.012
CH3NH2 methyl amine 1.471 -0.001
CH2N2 diazirine 1.482 0.002
CH2NOH formaldoxime 1.276 0.002
CH2NN diazomethane 1.300 0.002
HNCS Isothiocyanic acid 1.207 0.003
CH3NO nitrosomethane 1.482 0.004
HCN Hydrogen cyanide 1.156 0.004
CH3NO2 Methane, nitro- 1.489 0.005
CH3CN Acetonitrile 1.157 0.005
CH2NH Methanimine 1.273 0.005
C4H5N Pyrrole 1.370 0.006
HNCNH diiminomethane 1.224 0.006
BrCN Cyanogen bromide 1.158 0.008
CN- cyanide anion 1.177 0.008
C2H5CN ethyl cyanide 1.153 0.010
C2N2 Cyanogen 1.154 0.011