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Compare Calculated Bonds for C-N

17 01 10 14 40

MP3=FULL/aug-cc-pVTZ

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


Values greater than 1.60 are in the 1.60 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 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.310 0.122

  Species Name Bond Length (Å)
Lowest value HNC+ hydrogen isocyanide cation 1.109
Highest value CH5N2O+ urea, N-protonated 1.538

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN Cyano radical 1.125 1 2
HCN Hydrogen cyanide 1.143 1 3
HCN+ hydrogen cyanide cation 1.190 1 3
HNC+ hydrogen isocyanide cation 1.109 1 2
CH2NH Methanimine 1.263 1 2
CH2NH+ Methanimine cation 1.220 1 2
CHNH2 aminomethylene 1.304 1 2
CH2NH2+ methyleneamine cation 1.267 1 2
CH3NH2 methyl amine 1.457 1 2
LiCN lithium cyanide 1.156 2 3
ZnCN Zinc monocyanide 1.146 2 3
ZnNC Zinc isocyanide 1.166 2 3
NCO isocyanato radical 1.226 1 2
CNF iso cyanogen fluoride 1.162 1 2
BrCN Cyanogen bromide 1.146 1 2
HSCN thiocyanic acid 1.148 2 3
HNCS Isothiocyanic acid 1.188 1 2
HNCNH diiminomethane 1.215 1 2
    1.215 1 3
CH3CN Acetonitrile 1.144 2 3
HCNCH2+ 2H-Azirine cation 1.194 1 2
    1.451 1 3
CHNHCH 1H-Azirine 1.506 1 2
    1.506 1 3
NCNH3+ Cyanamide, protonated 1.140 1 2
    1.398 1 3
HNCNH2+ diiminomethane, protonated 1.140 1 2
    1.282 1 3
NH3CN+ cyanamide, amine protonated 1.398 1 2
    1.141 1 3
H2CCNH Ethenimine 1.218 2 3
HCCNH2 Ethynamine 1.354 2 3
NH2CNH+ cyanamide, cn protonated 1.140 1 2
    1.283 1 3
H2CNCH methyleneaminomethylene 1.273 1 2
    1.208 2 3
CH2NOH formaldoxime 1.263 1 2
CH3NO nitrosomethane 1.468 1 2
CNOH3 1,2-oxaziridine 1.427 1 2
HOCHNH hydroxymethylimine 1.253 1 3
CHSNH2 thioformamide 1.334 1 3
NHCHSH Methanimidothioic acid 1.260 1 2
NH2CHOH+ Formamide, O-protonated 1.287 1 3
NH2CH2OH aminomethanol 1.432 1 2
(CH3)2NH2+ dimethylammonium cation 1.491 1 2
    1.491 1 3
CH3CH2NH3+ ethylamine, protonated 1.510 1 2
C2N2 Cyanogen 1.145 1 3
    1.145 2 4
HNCCNH Ethenediimine 1.237 1 3
    1.237 2 4
H2CNCN cyanamide, methylene 1.267 1 2
    1.148 3 4
    1.346 2 3
CH3N3 methyl azide 1.465 1 2
CH3NO2 Methane, nitro- 1.477 1 2
CH3NCO methylisocyante 1.431 1 2
    1.186 2 3
NH2CH2CN Aminoacetonitrile 1.145 3 4
    1.449 1 2
NH2CCNH2 Diaminoacetylene 1.354 1 3
    1.354 2 4
CH3NHN2+ methyl azide, protonated 1.482 1 2
NH2CONH2 Urea 1.363 1 3
    1.363 1 4
NH3COOH+ protonated Carbamic acid 1.508 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.299 1 3
CH3CHNOH Acetaldoxime 1.266 2 3
HCONHCH3 N-methylformamide 1.345 1 3
    1.444 3 4
CH5N2O+ urea, N-protonated 1.538 1 3
    1.326 1 4
H2NCOHNH2+ urea, protonated 1.315 1 3
    1.308 1 4
CH3CSNH2 Ethanethioamide 1.337 1 4
H2NCHCHNH2 diaminoethylene 1.411 1 3
    1.411 2 4
CH7N3 triaminomethane 1.449 1 3
    1.449 1 4
    1.449 1 5
NH2CH2CH2CH3 1-Propanamine 1.456 3 4
C2H2N2O Furazan 1.293 2 4
    1.293 3 5
C3H4N2 1H-Imidazole 1.303 2 4
    1.372 4 5
    1.355 1 2
    1.369 1 3
C3H4N2 4H-Imidazole 1.271 2 3
    1.450 3 4
    1.426 1 2
    1.275 1 5
C4H5N Pyrrole 1.364 1 3
    1.364 1 4
C4H6N+ pyrrole, protonated 1.471 1 2
    1.471 1 3
C4H6N+ pyrrole, alpha-protonated 1.452 1 2
    1.290 1 3
CH(CN)3 tricyanomethane 1.141 3 6
    1.141 4 7
    1.141 5 8