IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31CCSD(T)/daug-cc-pVDZ for rCN
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.002 | 0.000 | 0.002 | 0.004 | 0.006 | 0.008 | 0.010 | 0.012 | 0.014 | 0.016 | 0.018 | 0.020 | 0.022 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3NH2 | methyl amine | 0.009 |
Most positive difference | BrCN | Cyanogen bromide | 0.023 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3NH2 | methyl amine | 1.471 | 0.009 |
HCNO | fulminic acid | 1.168 | 0.011 |
CH2NH | Methanimine | 1.273 | 0.019 |
HCN | Hydrogen cyanide | 1.156 | 0.020 |
CH3CN | Acetonitrile | 1.157 | 0.021 |
HNCNH | diiminomethane | 1.224 | 0.021 |
BrCN | Cyanogen bromide | 1.158 | 0.023 |