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Compare Calculated Bonds for N-C

17 01 10 14 40

B3LYPultrafine/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 1.00 are in the 1.00 bin.

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1.00 1.05 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
1.333 0.121

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.015
Highest value CH5N2O+ urea, N-protonated 1.599

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.171 1 2
CN Cyano radical 1.163 1 2
HCN Hydrogen cyanide 1.146 1 3
HCN+ hydrogen cyanide cation 1.208 1 3
HNC+ hydrogen isocyanide cation 1.131 1 2
H2CN Dihydrogen cyanide radical 1.238 1 2
CNH2 Aminomethylidyne radical 1.288 1 2
HCNH methyleneazane 1.229 1 2
CH2NH Methanimine 1.263 1 2
CH2NH+ Methanimine cation 1.224 1 2
CHNH2 aminomethylene 1.307 1 2
CH2NH2+ methyleneamine cation 1.271 1 2
CH3NH2 methyl amine 1.464 1 2
CH3NH2+ methyl amine cation 1.412 1 2
CH3NH3 methyl ammonium radical 1.506 1 2
NCN Cyanoimidogen 1.224 1 2
    1.224 1 3
LiCN lithium cyanide 1.172 2 3
CNN Diazocarbene 1.233 1 2
CN2 3H-Diazirin-3-ylidene 1.385 1 2
    1.385 1 3
NaCN Sodium Cyanide 1.173 1 2
AlCN Aluminum monocyanide 1.158 2 3
AlNC Aluminum isocyanide 1.177 2 3
ZnCN Zinc monocyanide 1.156 2 3
ZnNC Zinc isocyanide 1.174 2 3
NCO isocyanato radical 1.222 1 2
CNF iso cyanogen fluoride 1.172 1 2
BrCN Cyanogen bromide 1.153 1 2
HCCN cyanomethylene 1.199 2 3
HNCO Isocyanic acid 1.211 2 3
HOCN cyanic acid 1.152 1 2
HCNO fulminic acid 1.156 2 3
HSCN thiocyanic acid 1.155 2 3
HNCS Isothiocyanic acid 1.200 1 2
HNCNH diiminomethane 1.219 1 2
    1.219 1 3
CH2NN diazomethane 1.292 1 2
NH2CN cyanamide 1.155 1 2
    1.341 1 3
CH3CN- acetonitrile anion 1.209 2 3
CH3CN Acetonitrile 1.150 2 3
CHNCH2 2H-Azirine 1.248 1 2
    1.567 1 3
HCNCH2+ 2H-Azirine cation 1.202 1 2
    1.460 1 3
CHNHCH 1H-Azirine 1.519 1 2
    1.519 1 3
NCNH3+ Cyanamide, protonated 1.146 1 2
    1.406 1 3
HNCNH2+ diiminomethane, protonated 1.155 1 2
    1.279 1 3
NH3CN+ cyanamide, amine protonated 1.406 1 2
    1.146 1 3
H2CCNH Ethenimine 1.219 2 3
HCCNH2 Ethynamine 1.350 2 3
NH2CNH+ cyanamide, cn protonated 1.146 1 2
    1.283 1 3
H2CNCH methyleneaminomethylene 1.274 1 2
    1.214 2 3
CHONH2 formamide 1.357 1 3
CH2NOH formaldoxime 1.266 1 2
CH3NO nitrosomethane 1.482 1 2
CNOH3 1,2-oxaziridine 1.435 1 2
HOCHNH hydroxymethylimine 1.260 1 3
CHSNH2 thioformamide 1.340 1 3
NHCHSH Methanimidothioic acid 1.262 1 2
NHCHNH2 aminomethanimine 1.370 1 2
    1.271 1 3
CH3CHN methylmethaniminyl radical 1.242 1 3
CH2CHNH vinylazine 1.312 1 3
H2CONH2+ protonated formamide 1.295 1 3
NH2CHOH+ Formamide, O-protonated 1.295 1 3
C2H5N Aziridine 1.470 1 3
    1.470 1 4
CH3CHNH ethanimine 1.265 2 3
NH2CH2OH aminomethanol 1.438 1 2
NH2CH2NH2 diaminomethane 1.461 1 2
    1.461 1 3
C2H5NH+ Protonated Aziridine 1.015 1 2
    1.015 1 3
C2H6N+ aziridine, protonated 1.498 1 2
    1.498 1 3
CH3CH2NH2 Ethylamine 1.464 1 2
CH3NHCH3 Dimethylamine 1.455 1 3
    1.455 1 4
(CH3)2NH2+ dimethylammonium cation 1.505 1 2
    1.505 1 3
CH3CH2NH3+ ethylamine, protonated 1.528 1 2
C2N2 Cyanogen 1.153 1 3
    1.153 2 4
HNCCNH Ethenediimine 1.240 1 3
    1.240 2 4
H2CNCN cyanamide, methylene 1.272 1 2
    1.157 3 4
    1.337 2 3
C3H3N acrylonitrile 1.153 1 2
C3H3N+ acrylonitrile cation 1.173 1 2
CH3N3 methyl azide 1.472 1 2
CH3NO2 Methane, nitro- 1.499 1 2
HOCH2CN cyanomethanol 1.150 2 7
NH2COOH Carbamic acid 1.357 1 3
CH3NCO methylisocyante 1.439 1 2
    1.196 2 3
C2H3NO Nitrosoethylene 1.425 2 3
NH2CH2CN Aminoacetonitrile 1.151 3 4
    1.458 1 2
NH2CCNH2 Diaminoacetylene 1.355 1 3
    1.355 2 4
CH3NHN2+ methyl azide, protonated 1.494 1 2
NH2CONH2 Urea 1.384 1 3
    1.384 1 4
NH3COOH+ protonated Carbamic acid 1.546 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.308 1 3
NH2CSNH2 Thiourea 1.361 1 3
    1.361 1 4
C2H5CN ethyl cyanide 1.150 3 4
CH3CONH2 Acetamide 1.364 2 3
CH3CHNOH Acetaldoxime 1.268 2 3
HCONHCH3 N-methylformamide 1.353 1 3
    1.455 3 4
CH5N2O+ urea, N-protonated 1.599 1 3
    1.328 1 4
CH3C(OH)=NH Ethaninidic acid 1.265 1 3
H2NCOHNH2+ urea, protonated 1.324 1 3
    1.317 1 4
CH3CSNH2 Ethanethioamide 1.345 1 4
H2NCHCHNH2 diaminoethylene 1.413 1 3
    1.413 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.478 1 3
    1.478 2 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.462 1 3
    1.462 2 4
C3H7N Cyclopropylamine 1.442 1 3
CH7N3 triaminomethane 1.460 1 3
    1.460 1 4
    1.460 1 5
HOCH2CH2NH2 monoethanolamine 1.469 1 2
C2H8N2 Ethylenediamine 1.462 1 3
    1.462 2 4
N(CH3)3 Trimethylamine 1.452 1 2
    1.452 1 3
    1.452 1 4
NH2CH2CH2CH3 1-Propanamine 1.463 3 4
C3H7NH3+ n-propylamine, protonated 1.526 3 4
(CH3)3NH+ protonated trimethyl amine 1.021 1 2
    1.503 1 3
    1.503 1 4
C3H2N2 Malononitrile 1.148 2 6
    1.148 3 7
CH2N4 1H-Tetrazole 1.343 1 2
    1.309 1 5
C2H2N2O Furazan 1.300 2 4
    1.300 3 5
C3H3N2- imidizolyl anion 1.347 1 2
    1.347 1 3
    1.368 2 4
    1.368 3 5
C3H3N2 imidazolyl radical 1.369 1 2
    1.369 1 3
    1.314 2 4
    1.314 3 5
C3H3NO Isoxazole 1.305 2 4
C3H3NO Oxazole 1.289 2 3
    1.388 3 4
C3H3NS Thiazole 1.296 2 4
    1.372 4 5
C3H4N2 1H-Pyrazole 1.322 6 7
    1.354 2 9
C3H4N2 1H-Imidazole 1.310 2 4
    1.375 4 5
    1.362 1 2
    1.376 1 3
C3H4N2 4H-Imidazole 1.278 2 3
    1.456 3 4
    1.283 1 5
    1.427 1 2
C3H4N2 2H-Imidazole 1.355 1 2
    1.355 1 3
    1.252 2 4
    1.252 3 5
C4H4N- pyrrolide anion 1.359 1 2
    1.359 1 3
C4H4N pyrrolide radical 1.341 1 2
    1.341 1 3
C4H5N Pyrrole 1.371 1 3
    1.371 1 4
C4H5N Cyclopropanecarbonitrile 1.150 7 8
CH2CHCONH2 Acrylamide 1.367 2 3
CH3OCH2CN Methoxyacetonitrile 1.150 4 5
C4H6N+ pyrrole, protonated 1.483 1 2
    1.483 1 3
C4H6N+ pyrrole, beta-protonated 1.295 1 2
    1.427 1 3
C4H6N+ pyrrole, alpha-protonated 1.458 1 2
    1.304 1 3
C2H6N2O Urea, methyl- 1.385 7 10
    1.453 1 6
    1.377 6 7
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.151 1 2
CH3CH2CH2CN Butanenitrile 1.150 1 2
C4H9N Pyrrolidine 1.462 1 3
    1.462 1 4
C4H9N Cyclobutylamine 1.462 1 10
C3H10N2 1,2-Diaminopropane 1.461 4 7
    1.467 1 14
NH(C2H5)2 diethylamine 1.458 1 2
    1.458 1 3
NC4H12+ tetramethyl ammonium cation 1.505 1 2
    1.505 1 3
    1.505 1 4
    1.505 1 5
C4H2N2 Fumaronitrile 1.153 3 5
    1.153 4 6
C3H3N3 1,3,5-Triazine 1.331 3 4
    1.331 2 4
    1.331 2 5
    1.331 1 5
    1.331 1 6
    1.331 3 6
C2H3NO3 Oxamic acid 1.351 2 6
C4H4N2 Succinonitrile 1.148 4 5
    1.148 3 6
C4H4N2 Pyridazine 1.330 4 9
    1.330 3 10
C4H4N2 1,3-Diazine 1.333 2 5
    1.328 3 5
    1.333 2 6
    1.328 4 6
C4H4N2 Pyrazine 1.331 1 3
    1.331 1 4
    1.331 2 5
    1.331 2 6
C2H4N2S2 Ethanedithioamide 1.327 1 5
    1.327 2 6
C5H5N Pyridine 1.332 1 3
    1.332 1 4
C5H6N+ Pyridinium 1.347 1 2
    1.347 1 3
CH3CH(NH2)COOH Alanine 1.471 1 3
NH2CH2CH2COOH β–alanine 1.473 1 2
C4H7NO Ethoxyacetonitrile 1.149 5 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.381 1 3
    1.381 1 4
    1.453 3 5
    1.453 4 6
C5H11N Piperidine 1.461 6 8
    1.461 7 8
C5H11N Cyclopentanamine 1.462 1 2
CH(CN)3 tricyanomethane 1.148 3 6
    1.148 4 7
    1.148 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.196 2 3
    1.152 4 6
    1.152 5 7
C5H5NO 2(1H)-Pyridinone 1.401 1 2
    1.366 1 6
C6H5NH2 aniline 1.397 1 7
HO2CCHNH2CH2OH Serine 1.460 4 7
C6H15N triethylamine 1.465 1 2
    1.465 1 3
    1.465 1 4
C6H5NO nitrosobenzene 1.441 1 7
C8H6 benzocyclobutadiene 1.351 4 8
    1.515 5 8
    1.431 7 8
C5H9NO2 Proline 1.463 4 5
    1.457 1 5
C(CN)4 tetracyanomethane 1.147 2 6
    1.147 3 7
    1.147 4 8
    1.147 5 9
C3H3N3O3 cyanuric acid 1.387 1 4
    1.387 2 4
    1.387 2 5
    1.387 3 5
    1.387 3 6
    1.387 1 6
C6H5NO2 Nitrobenzene 1.481 1 7
C12H10N2 azobenzene 1.417 1 3
    1.417 2 4