IV.D.4. (XII.A.2.) |
Compare Bonds
18 10 19 16 31CCSD=FULL/Def2TZVPP for rCN
Histogram of Bond length differences (in Å) vs number of species
Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.020 are in the -0.020 bin.
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2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | 0.020 | 0.025 | 0.030 | 0.035 | 0.040 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CHSNH2 | thioformamide | -0.019 |
Most positive difference | ZnCN | Zinc monocyanide | 0.017 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CHSNH2 | thioformamide | 1.358 | -0.019 |
HCNO | fulminic acid | 1.168 | -0.016 |
HNCS | Isothiocyanic acid | 1.207 | -0.010 |
CH3NH2 | methyl amine | 1.471 | -0.009 |
CH(CN)3 | tricyanomethane | 1.158 | -0.008 |
C2H2N2O | Furazan | 1.303 | -0.008 |
CN | Cyano radical | 1.172 | -0.008 |
HCN | Hydrogen cyanide | 1.156 | -0.006 |
CH3CN | Acetonitrile | 1.157 | -0.006 |
ICN | Cyanogen iodide | 1.160 | -0.006 |
CH2NH | Methanimine | 1.273 | -0.005 |
BrCN | Cyanogen bromide | 1.158 | -0.004 |
HNCNH | diiminomethane | 1.224 | -0.004 |
CH3NO2 | Methane, nitro- | 1.489 | -0.003 |
C4H5N | Pyrrole | 1.370 | -0.002 |
C2H5CN | ethyl cyanide | 1.153 | -0.001 |
ZnCN | Zinc monocyanide | 1.142 | 0.017 |