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Compare Calculated Bonds for N-C

17 01 10 14 40

ROHF/aug-cc-pVDZ

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.55 are in the 1.55 bin. Values less than 1.10 are in the 1.10 bin.

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1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.254 0.107

  Species Name Bond Length (Å)
Lowest value HNC+ hydrogen isocyanide cation 1.117
Highest value HCNCH2+ 2H-Azirine cation 1.490

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN Cyano radical 1.139 1 2
HCN+ hydrogen cyanide cation 1.189 1 3
HNC+ hydrogen isocyanide cation 1.117 1 2
H2CN Dihydrogen cyanide radical 1.261 1 2
H2CN+ hydrocyanonium cation 1.209 1 2
CNH2 Aminomethylidyne radical 1.297 1 2
HCNH methyleneazane 1.233 1 2
CH2NH+ Methanimine cation 1.240 1 2
CH3NH2+ methyl amine cation 1.458 1 2
CH3NH3 methyl ammonium radical 1.490 1 2
NCN Cyanoimidogen 1.234 1 2
    1.234 1 3
LiCN lithium cyanide 1.150 2 3
CNN Diazocarbene 1.166 1 2
ZnCN Zinc monocyanide 1.145 2 3
ZnNC Zinc isocyanide 1.164 2 3
NCO isocyanato radical 1.233 1 2
SCN thiocyanato radical 1.142 1 3
HCCN cyanomethylene 1.140 2 3
CH3CN- acetonitrile anion 1.138 2 3
CH3CN+ Acetonitrile cation 1.196 2 3
HCNCH2+ 2H-Azirine cation 1.181 1 2
    1.490 1 3
CH3CHN methylmethaniminyl radical 1.259 1 3
CH2CHNH vinylazine 1.266 1 3
C3H3N+ acrylonitrile cation 1.141 1 2
C3H3N2 imidazolyl radical 1.360 1 2
    1.360 1 3
    1.305 2 4
    1.305 3 5
C4H4N pyrrolide radical 1.336 1 2
    1.336 1 3
C6H13N cyclohexanamine 1.459 4 7