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Compare Calculated Bonds for C-N

17 01 10 14 40

M06-2X/aug-cc-pVDZ

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
1.325 0.121

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.018
Highest value CH5N2O+ urea, N-protonated 1.559

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.179 1 2
CN Cyano radical 1.163 1 2
HCN Hydrogen cyanide 1.152 1 3
HCN+ hydrogen cyanide cation 1.210 1 3
HNC+ hydrogen isocyanide cation 1.138 1 2
H2CN Dihydrogen cyanide radical 1.245 1 2
CNH2 Aminomethylidyne radical 1.297 1 2
HCNH methyleneazane 1.233 1 2
CH2NH Methanimine 1.268 1 2
CH2NH+ Methanimine cation 1.234 1 2
CHNH2 aminomethylene 1.313 1 2
CH2NH2+ methyleneamine cation 1.275 1 2
CH3NH2 methyl amine 1.462 1 2
CH3NH2+ methyl amine cation 1.418 1 2
CH3NH3 methyl ammonium radical 1.498 1 2
NCN Cyanoimidogen 1.231 1 2
    1.231 1 3
LiCN lithium cyanide 1.178 2 3
CNN Diazocarbene 1.234 1 2
CN2 3H-Diazirin-3-ylidene 1.385 1 2
    1.385 1 3
NaCN Sodium Cyanide 1.179 1 2
AlCN Aluminum monocyanide 1.164 2 3
AlNC Aluminum isocyanide 1.183 2 3
ZnCN Zinc monocyanide 1.162 2 3
ZnNC Zinc isocyanide 1.180 2 3
NCO isocyanato radical 1.231 1 2
CNF iso cyanogen fluoride 1.176 1 2
BrCN Cyanogen bromide 1.158 1 2
HCCN cyanomethylene 1.185 2 3
HCNO fulminic acid 1.158 2 3
HSCN thiocyanic acid 1.159 2 3
HNCS Isothiocyanic acid 1.203 1 2
HNCNH diiminomethane 1.225 1 2
    1.225 1 3
NH2CN cyanamide 1.161 1 2
    1.332 1 3
CH3CN- acetonitrile anion 1.157 2 3
CH3CN Acetonitrile 1.155 2 3
CH3CN+ Acetonitrile cation 1.211 2 3
CHNCH2 2H-Azirine 1.256 1 2
    1.559 1 3
HCNCH2+ 2H-Azirine cation 1.207 1 2
    1.465 1 3
CHNHCH 1H-Azirine 1.506 1 2
    1.506 1 3
NCNH3+ Cyanamide, protonated 1.151 1 2
    1.406 1 3
HNCNH2+ diiminomethane, protonated 1.159 1 2
    1.285 1 3
NH3CN+ cyanamide, amine protonated 1.406 1 2
    1.151 1 3
H2CCNH Ethenimine 1.226 2 3
HCCNH2 Ethynamine 1.357 2 3
NH2CNH+ cyanamide, cn protonated 1.151 1 2
    1.289 1 3
H2CNCH methyleneaminomethylene 1.276 1 2
    1.223 2 3
CHONH2 formamide 1.359 1 3
CH2NOH formaldoxime 1.269 1 2
CH3NO nitrosomethane 1.478 1 2
CNOH3 1,2-oxaziridine 1.435 1 2
HOCHNH hydroxymethylimine 1.265 1 3
CHSNH2 thioformamide 1.341 1 3
NHCHSH Methanimidothioic acid 1.267 1 2
CH3CHN methylmethaniminyl radical 1.249 1 3
CH2CHNH vinylazine 1.307 1 3
H2CONH2+ protonated formamide 1.297 1 3
NH2CHOH+ Formamide, O-protonated 1.297 1 3
CH3CHNH ethanimine 1.270 2 3
NH2CH2OH aminomethanol 1.438 1 2
NH2CH2NH2 diaminomethane 1.458 1 2
    1.458 1 3
C2H5NH+ Protonated Aziridine 1.018 1 2
    1.018 1 3
C2H6N+ aziridine, protonated 1.490 1 2
    1.490 1 3
(CH3)2NH2+ dimethylammonium cation 1.497 1 2
    1.497 1 3
CH3CH2NH3+ ethylamine, protonated 1.517 1 2
C2N2 Cyanogen 1.156 1 3
    1.156 2 4
HNCCNH Ethenediimine 1.244 1 3
    1.244 2 4
H2CNCN cyanamide, methylene 1.160 3 4
    1.276 1 2
    1.352 2 3
C3H3N+ acrylonitrile cation 1.175 1 2
CH3N3 methyl azide 1.472 1 2
CH3NO2 Methane, nitro- 1.492 1 2
HOCH2CN cyanomethanol 1.155 2 7
NH2COOH Carbamic acid 1.356 1 3
CH3NCO methylisocyante 1.443 1 2
    1.202 2 3
C2H3NO Nitrosoethylene 1.435 2 3
NH2CH2CN Aminoacetonitrile 1.156 3 4
    1.454 1 2
NH2CCNH2 Diaminoacetylene 1.359 1 3
    1.359 2 4
CH3NHN2+ methyl azide, protonated 1.489 1 2
NH2CONH2 Urea 1.384 1 3
    1.384 1 4
NH3COOH+ protonated Carbamic acid 1.524 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.309 1 3
C2H5CN ethyl cyanide 1.156 3 4
CH5N3 Guanidine 1.279 1 2
    1.396 1 3
    1.392 1 4
CH3CHNOH Acetaldoxime 1.274 2 3
HCONHCH3 N-methylformamide 1.353 1 3
    1.452 3 4
CH5N2O+ urea, N-protonated 1.559 1 3
    1.333 1 4
CH3C(OH)=NH Ethaninidic acid 1.269 1 3
H2NCOHNH2+ urea, protonated 1.324 1 3
    1.318 1 4
CH3CSNH2 Ethanethioamide 1.346 1 4
H2NCHCHNH2 diaminoethylene 1.415 1 3
    1.415 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.474 1 3
    1.474 2 4
CH6N3+ guanidinium 1.333 1 2
    1.333 1 3
    1.333 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.462 1 3
    1.462 2 4
CH7N3 triaminomethane 1.457 1 3
    1.457 1 4
    1.457 1 5
HOCH2CH2NH2 monoethanolamine 1.467 1 2
NH2CH2CH2CH3 1-Propanamine 1.461 3 4
C3H7NH3+ n-propylamine, protonated 1.517 3 4
(CH3)3NH+ protonated trimethyl amine 1.024 1 2
    1.495 1 3
    1.495 1 4
CH2N4 1H-Tetrazole 1.347 1 2
    1.311 1 5
C2H2N2O Furazan 1.302 2 4
    1.302 3 5
C3H3N2- imidizolyl anion 1.347 1 2
    1.347 1 3
    1.368 2 4
    1.368 3 5
C3H3N2 imidazolyl radical 1.370 1 2
    1.370 1 3
    1.316 2 4
    1.316 3 5
C3H3NO Isoxazole 1.307 2 4
C3H3NO Oxazole 1.290 2 3
    1.390 3 4
C3H3NS Thiazole 1.298 2 4
    1.375 4 5
C3H4N2 1H-Imidazole 1.313 2 4
    1.375 4 5
    1.362 1 2
    1.375 1 3
C3H4N2 4H-Imidazole 1.280 2 3
    1.453 3 4
    1.429 1 2
    1.285 1 5
C3H4N2 2H-Imidazole 1.359 1 2
    1.359 1 3
    1.255 2 4
    1.255 3 5
C4H4N- pyrrolide anion 1.360 1 2
    1.360 1 3
C4H4N pyrrolide radical 1.342 1 2
    1.342 1 3
C4H5N Pyrrole 1.370 1 3
    1.370 1 4
CH3OCH2CN Methoxyacetonitrile 1.155 4 5
C4H6N+ pyrrole, protonated 1.476 1 2
    1.476 1 3
C4H6N+ pyrrole, beta-protonated 1.296 1 2
    1.429 1 3
C4H6N+ pyrrole, alpha-protonated 1.455 1 2
    1.303 1 3
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.156 1 2
CH3CH2CH2CN Butanenitrile 1.156 1 2
NH(C2H5)2 diethylamine 1.456 1 2
    1.456 1 3
NC4H12+ tetramethyl ammonium cation 1.496 1 2
    1.496 1 3
    1.496 1 4
    1.496 1 5
C4H2N2 Fumaronitrile 1.157 3 5
    1.157 4 6
C2H4N2S2 Ethanedithioamide 1.328 1 5
    1.328 2 6
C5H6N+ Pyridinium 1.347 1 2
    1.347 1 3
C4H7NO Ethoxyacetonitrile 1.154 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
CH(CN)3 tricyanomethane 1.153 3 6
    1.153 4 7
    1.153 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.202 2 3
    1.157 4 6
    1.157 5 7
HO2CCHNH2CH2OH Serine 1.456 4 7
C6H5NO nitrosobenzene 1.449 1 7
C5H9NO2 Proline 1.454 1 5
    1.462 4 5
C6H12N2 Triethylenediamine 1.467 1 3
    1.467 1 4
    1.467 1 5
    1.467 2 6
    1.467 2 7
    1.467 2 8
C(CN)4 tetracyanomethane 1.152 2 6
    1.152 3 7
    1.152 4 8
    1.152 5 9
C3H3N3O3 cyanuric acid 1.386 1 4
    1.386 1 6
    1.386 2 4
    1.386 2 5
    1.386 3 5
    1.386 3 6