IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31MP3/daug-cc-pVDZ for rCN
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.030 are in the -0.030 bin.
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8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | -0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CN | Cyano radical | -0.030 |
Most positive difference | HNCNH | diiminomethane | 0.012 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CN | Cyano radical | 1.172 | -0.030 |
CH3CSNH2 | Ethanethioamide | 1.356 | -0.002 |
HCN | Hydrogen cyanide | 1.156 | 0.006 |
CH3CN | Acetonitrile | 1.157 | 0.007 |
BrCN | Cyanogen bromide | 1.158 | 0.007 |
CH2NH | Methanimine | 1.273 | 0.009 |
C2H2N2O | Furazan | 1.303 | 0.009 |
HNCNH | diiminomethane | 1.224 | 0.012 |