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Compare Calculated Bonds for N-C

17 01 10 14 40

CCSD(T)/TZVP

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
1.324 0.118

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.017
Highest value CH5N2O+ urea, N-protonated 1.587

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.183 1 2
HCN Hydrogen cyanide 1.161 1 3
HCN+ hydrogen cyanide cation 1.218 1 3
HNC+ hydrogen isocyanide cation 1.142 1 2
H2CN Dihydrogen cyanide radical 1.253 1 2
CNH2 Aminomethylidyne radical 1.300 1 2
HCNH methyleneazane 1.241 1 2
CH2NH Methanimine 1.279 1 2
CH2NH+ Methanimine cation 1.239 1 2
CHNH2 aminomethylene 1.319 1 2
CH2NH2+ methyleneamine cation 1.281 1 2
CH3NH2 methyl amine 1.469 1 2
CH3NH2+ methyl amine cation 1.437 1 2
NCN Cyanoimidogen 1.235 1 2
    1.235 1 3
LiCN lithium cyanide 1.183 2 3
CNN Diazocarbene 1.232 1 2
CN2 3H-Diazirin-3-ylidene 1.395 1 2
    1.395 1 3
NaCN Sodium Cyanide 1.183 1 2
AlCN Aluminum monocyanide 1.172 2 3
AlNC Aluminum isocyanide 1.188 2 3
KCN Potassium cyanide 1.180 2 3
NCO isocyanato radical 1.231 1 2
CNF iso cyanogen fluoride 1.185 1 2
BrCN Cyanogen bromide 1.166 1 2
HCCN cyanomethylene 1.193 2 3
HCNO fulminic acid 1.173 2 3
HSCN thiocyanic acid 1.167 2 3
HNCS Isothiocyanic acid 1.209 1 2
HNCNH diiminomethane 1.230 1 2
    1.230 1 3
NH2CN cyanamide 1.168 1 2
    1.336 1 3
CH3CN- acetonitrile anion 1.223 2 3
CH3CN Acetonitrile 1.162 2 3
CHNCH2 2H-Azirine 1.263 1 2
    1.576 1 3
HCNCH2+ 2H-Azirine cation 1.214 1 2
    1.479 1 3
CHNHCH 1H-Azirine 1.527 1 2
    1.527 1 3
NCNH3+ Cyanamide, protonated 1.161 1 2
    1.416 1 3
HNCNH2+ diiminomethane, protonated 1.164 1 2
    1.288 1 3
NH3CN+ cyanamide, amine protonated 1.416 1 2
    1.161 1 3
HCCNH2 Ethynamine 1.368 2 3
NH2CNH+ cyanamide, cn protonated 1.154 1 2
    1.293 1 3
CHONH2 formamide 1.371 1 3
CH2NOH formaldoxime 1.279 1 2
CH3NO nitrosomethane 1.493 1 2
CNOH3 1,2-oxaziridine 1.444 1 2
HOCHNH hydroxymethylimine 1.270 1 3
CHSNH2 thioformamide 1.349 1 3
NHCHSH Methanimidothioic acid 1.276 1 2
CH3CHN methylmethaniminyl radical 1.255 1 3
CH2CHNH vinylazine 1.319 1 3
H2CONH2+ protonated formamide 1.300 1 3
NH2CHOH+ Formamide, O-protonated 1.300 1 3
CH3CHNH ethanimine 1.280 2 3
NH2CH2NH2 diaminomethane 1.464 1 2
    1.464 1 3
C2H5NH+ Protonated Aziridine 1.017 1 2
    1.017 1 3
(CH3)2NH2+ dimethylammonium cation 1.506 1 2
    1.506 1 3
CH3CH2NH3+ ethylamine, protonated 1.525 1 2
C2N2 Cyanogen 1.165 1 3
    1.165 2 4
HNCCNH Ethenediimine 1.255 1 3
    1.255 2 4
H2CNCN cyanamide, methylene 1.168 3 4
    1.286 1 2
    1.361 2 3
C3H3N+ acrylonitrile cation 1.182 1 2
CH3N3 methyl azide 1.478 1 2
CH3NO2 Methane, nitro- 1.502 1 2
HOCH2CN cyanomethanol 1.163 2 7
NH2COOH Carbamic acid 1.370 1 3
CH3NCO methylisocyante 1.452 1 2
    1.208 2 3
NH2CH2CN Aminoacetonitrile 1.164 3 4
    1.463 1 2
NH2CCNH2 Diaminoacetylene 1.370 1 3
    1.370 2 4
NH2CONH2 Urea 1.391 1 3
    1.391 1 4
NH3COOH+ protonated Carbamic acid 1.538 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.310 1 3
C2H5CN ethyl cyanide 1.163 3 4
CH5N3 Guanidine 1.281 1 2
    1.405 1 3
    1.400 1 4
CH3CHNOH Acetaldoxime 1.283 2 3
HCONHCH3 N-methylformamide 1.364 1 3
    1.458 3 4
CH5N2O+ urea, N-protonated 1.587 1 3
    1.335 1 4
CH3C(OH)=NH Ethaninidic acid 1.274 1 3
H2NCOHNH2+ urea, protonated 1.326 1 3
    1.319 1 4
CH3CSNH2 Ethanethioamide 1.358 1 4
H2NCHCHNH2 diaminoethylene 1.424 1 3
    1.424 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.488 1 3
    1.488 2 4
CH6N3+ guanidinium 1.335 1 2
    1.335 1 3
    1.335 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.472 1 3
    1.472 2 4
CH7N3 triaminomethane 1.461 1 3
    1.461 1 4
    1.461 1 5
HOCH2CH2NH2 monoethanolamine 1.473 1 2
NH2CH2CH2CH3 1-Propanamine 1.469 3 4
C3H7NH3+ n-propylamine, protonated 1.525 3 4
CH2N4 1H-Tetrazole 1.349 1 2
    1.316 1 5
C2H2N2O Furazan 1.310 2 4
    1.310 3 5
C3H3N2- imidizolyl anion 1.353 1 2
    1.353 1 3
    1.378 2 4
    1.378 3 5
C3H3N2 imidazolyl radical 1.379 1 2
    1.379 1 3
    1.321 2 4
    1.321 3 5
C3H3NO Oxazole 1.295 2 3
    1.401 3 4
C3H3NS Thiazole 1.304 2 4
    1.386 4 5
C3H4N2 1H-Imidazole 1.317 2 4
    1.386 4 5
    1.369 1 2
    1.383 1 3
C3H4N2 4H-Imidazole 1.288 2 3
    1.468 3 4
    1.440 1 2
    1.293 1 5
C3H4N2 2H-Imidazole 1.362 1 2
    1.362 1 3
    1.261 2 4
    1.261 3 5
C4H4N- pyrrolide anion 1.368 1 2
    1.368 1 3
C4H4N pyrrolide radical 1.349 1 2
    1.349 1 3
C4H5N Pyrrole 1.378 1 3
    1.378 1 4
CH3OCH2CN Methoxyacetonitrile 1.163 4 5
C4H6N+ pyrrole, protonated 1.489 1 2
    1.489 1 3
C4H6N+ pyrrole, beta-protonated 1.301 1 2
    1.438 1 3
C4H6N+ pyrrole, alpha-protonated 1.469 1 2
    1.306 1 3
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.164 1 2
CH3CH2CH2CN Butanenitrile 1.163 1 2
NH(C2H5)2 diethylamine 1.463 1 2
    1.463 1 3
NC4H12+ tetramethyl ammonium cation 1.502 1 2
    1.502 1 3
    1.502 1 4
    1.502 1 5
C4H2N2 Fumaronitrile 1.165 3 5
    1.165 4 6
C2H4N2S2 Ethanedithioamide 1.335 1 5
    1.335 2 6
C5H6N+ Pyridinium 1.354 1 2
    1.354 1 3
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.391 1 3
    1.391 1 4
    1.462 3 5
    1.462 4 6
CH(CN)3 tricyanomethane 1.162 3 6
    1.162 4 7
    1.162 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.213 2 3
    1.165 4 6
    1.165 5 7
C(CN)4 tetracyanomethane 1.162 2 6
    1.162 3 7
    1.162 4 8
    1.162 5 9
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1.333 1 5
    1.333 1 6
    1.333 2 4
    1.333 2 6
    1.333 3 4
    1.333 3 5