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Compare Calculated Bonds for N-C

17 01 10 14 40

CISD/6-31G

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
1.344 0.124

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.015
Highest value CHNCH2 2H-Azirine 1.614

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.201 1 2
CN Cyano radical 1.179 1 2
CN+ Cyano cation 1.202 1 2
HCN Hydrogen cyanide 1.173 1 3
HCN+ hydrogen cyanide cation 1.219 1 3
HNC hydrogen isocyanide 1.190 1 2
HNC+ hydrogen isocyanide cation 1.150 1 2
H2CN Dihydrogen cyanide radical 1.267 1 2
H2CN+ hydrocyanonium cation 1.228 1 2
CNH2 Aminomethylidyne radical 1.330 1 2
CNH2+ N-protonated hydrogen isocyanide 1.271 1 2
HCNH methyleneazane 1.241 1 2
HCNH+ N-protonated HCN 1.151 1 2
CH2NH Methanimine 1.290 1 2
CH2NH+ Methanimine cation 1.252 1 2
CHNH2 aminomethylene 1.339 1 2
CH2NH2+ methyleneamine cation 1.291 1 2
CH3NH2 methyl amine 1.475 1 2
CH3NH2+ methyl amine cation 1.463 1 2
CH3NH3 methyl ammonium radical 1.534 1 2
CH3NH3+ protonated methylamine 1.538 1 2
NCN Cyanoimidogen 1.249 1 2
    1.249 1 3
LiCN lithium cyanide 1.199 2 3
CNN Diazocarbene 1.222 1 2
CN2 3H-Diazirin-3-ylidene 1.441 1 2
    1.441 1 3
NaCN Sodium Cyanide 1.198 1 2
AlCN Aluminum monocyanide 1.183 2 3
AlNC Aluminum isocyanide 1.201 2 3
KCN Potassium cyanide 1.199 2 3
ZnCN Zinc monocyanide 1.161 2 3
ZnNC Zinc isocyanide 1.194 2 3
NCO- cyanate 1.203 1 2
NCO isocyanato radical 1.228 1 2
CNO- fulminate 1.197 1 2
SCN- thiocyanide anion 1.188 1 3
SCN thiocyanato radical 1.171 1 3
CNF iso cyanogen fluoride 1.195 1 2
BrCN Cyanogen bromide 1.175 1 2
HCCN cyanomethylene 1.207 2 3
HOCN cyanic acid 1.174 1 2
HCNO fulminic acid 1.166 2 3
HSCN thiocyanic acid 1.175 2 3
HNCS Isothiocyanic acid 1.188 1 2
HNCNH diiminomethane 1.234 1 2
    1.234 1 3
CH2N2 diazirine 1.522 1 2
    1.522 1 3
NH2CN cyanamide 1.177 1 2
    1.346 1 3
CH3CN- acetonitrile anion 1.234 2 3
CH3CN Acetonitrile 1.172 2 3
CH3CN+ Acetonitrile cation 1.216 2 3
CHNCH2 2H-Azirine 1.275 1 2
    1.614 1 3
HCNCH2+ 2H-Azirine cation 1.203 1 2
    1.534 1 3
CHNHCH 1H-Azirine 1.565 1 2
    1.565 1 3
CH3NC methyl isocyanide 1.440 1 2
    1.186 2 3
NCNH3+ Cyanamide, protonated 1.168 1 2
    1.421 1 3
HNCNH2+ diiminomethane, protonated 1.161 1 2
    1.304 1 3
NH3CN+ cyanamide, amine protonated 1.421 1 2
    1.168 1 3
H2CCNH Ethenimine 1.242 2 3
HCCNH2 Ethynamine 1.358 2 3
NH2CNH+ cyanamide, cn protonated 1.161 1 2
    1.304 1 3
H2CNCH methyleneaminomethylene 1.291 1 2
    1.236 2 3
CHONH2 formamide 1.368 1 3
CH2NOH formaldoxime 1.284 1 2
CH3NO nitrosomethane 1.500 1 2
CNOH3 1,2-oxaziridine 1.458 1 2
HOCHNH hydroxymethylimine 1.275 1 3
CHSNH2 thioformamide 1.347 1 3
NHCHSH Methanimidothioic acid 1.278 1 2
NHCHNH2 aminomethanimine 1.376 1 2
    1.291 1 3
CH3CHN methylmethaniminyl radical 1.264 1 3
CH2CHNH vinylazine 1.337 1 3
H2CONH2+ protonated formamide 1.306 1 3
NH2CHOH+ Formamide, O-protonated 1.306 1 3
CH2CHNH2 aminoethene 1.398 2 3
CH2NCH3 N-methylmethanimine 1.478 1 2
    1.283 2 3
CH3CHNH ethanimine 1.287 2 3
NH2CH2OH aminomethanol 1.439 1 2
NH2CH2NH2 diaminomethane 1.470 1 2
    1.470 1 3
C2H5NH+ Protonated Aziridine 1.015 1 2
    1.015 1 3
C2H6N+ aziridine, protonated 1.527 1 2
    1.527 1 3
CH3CH2NH2 Ethylamine 1.474 1 2
(CH3)2NH2+ dimethylammonium cation 1.526 1 2
    1.526 1 3
CH3CH2NH3+ ethylamine, protonated 1.549 1 2
C2N2 Cyanogen 1.170 1 3
    1.170 2 4
HCCCN Cyanoacetylene 1.172 1 2
HNCCNH Ethenediimine 1.259 1 3
    1.259 2 4
H2CNCN cyanamide, methylene 1.288 1 2
    1.173 3 4
    1.369 2 3
C3H3N+ acrylonitrile cation 1.173 1 2
CH3N3 methyl azide 1.496 1 2
CH3NO2 Methane, nitro- 1.496 1 2
HOCH2CN cyanomethanol 1.169 2 7
NH2COOH Carbamic acid 1.356 1 3
CH3NCO methylisocyante 1.445 1 2
    1.194 2 3
NH2CH2CN Aminoacetonitrile 1.171 3 4
    1.462 1 2
NH2CCNH2 Diaminoacetylene 1.356 1 3
    1.356 2 4
CH3NHN2+ methyl azide, protonated 1.508 1 2
NH2CONH2 Urea 1.379 1 3
    1.379 1 4
NH3COOH+ protonated Carbamic acid 1.523 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.312 1 3
C2H5CN ethyl cyanide 1.170 3 4
CH5N3 Guanidine 1.292 1 2
    1.398 1 3
    1.394 1 4
CH3CHNOH Acetaldoxime 1.286 2 3
HCONHCH3 N-methylformamide 1.362 1 3
    1.467 3 4
CH5N2O+ urea, N-protonated 1.573 1 3
    1.340 1 4
CH3C(OH)=NH Ethaninidic acid 1.278 1 3
H2NCOHNH2+ urea, protonated 1.333 1 3
    1.323 1 4
CH3CSNH2 Ethanethioamide 1.349 1 4
H2NCHCHNH2 diaminoethylene 1.421 1 3
    1.421 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.503 1 3
    1.503 2 4
CH6N3+ guanidinium 1.343 1 2
    1.343 1 3
    1.343 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.481 1 3
    1.481 2 4
CH7N3 triaminomethane 1.466 1 3
    1.466 1 4
    1.466 1 5
HOCH2CH2NH2 monoethanolamine 1.477 1 2
C2H8N2 Ethylenediamine 1.469 1 3
    1.469 2 4
CH3NHNHCH3 dimethyl hydrazine 1.472 1 3
    1.472 2 4
NH2CH2CH2CH3 1-Propanamine 1.471 3 4
C3H7NH3+ n-propylamine, protonated 1.546 3 4
(CH3)3NH+ protonated trimethyl amine 1.023 1 2
    1.521 1 3
    1.521 1 4
C3H2N2 Malononitrile 1.167 2 6
    1.167 3 7
CH2N4 1H-Tetrazole 1.358 1 2
    1.326 1 5
C2H2N2O Furazan 1.309 2 4
    1.309 3 5
C3H3N2- imidizolyl anion 1.364 1 2
    1.364 1 3
    1.391 2 4
    1.391 3 5
C3H3N2 imidazolyl radical 1.396 1 2
    1.396 1 3
    1.323 2 4
    1.323 3 5
C3H3NO Isoxazole 1.318 2 4
C3H3NO Oxazole 1.305 2 3
    1.421 3 4
C3H3NS Thiazole 1.298 2 4
    1.413 4 5
C3H4N2 1H-Imidazole 1.325 2 4
    1.403 4 5
    1.379 1 2
    1.394 1 3
C3H4N2 4H-Imidazole 1.291 2 3
    1.493 3 4
    1.463 1 2
    1.298 1 5
C3H4N2 2H-Imidazole 1.373 1 2
    1.373 1 3
    1.266 2 4
    1.266 3 5
C4H4N- pyrrolide anion 1.379 1 2
    1.379 1 3
C4H4N pyrrolide radical 1.360 1 2
    1.360 1 3
C4H5N Pyrrole 1.388 1 3
    1.388 1 4
H2NCH2COOH Glycine 1.452 4 5
CH3OCH2CN Methoxyacetonitrile 1.168 4 5
C4H6N+ pyrrole, protonated 1.508 1 2
    1.508 1 3
C4H6N+ pyrrole, beta-protonated 1.303 1 2
    1.455 1 3
C4H6N+ pyrrole, alpha-protonated 1.486 1 2
    1.310 1 3
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.169 1 2
CH3CH2CH2CN Butanenitrile 1.168 1 2
C3H7NO dimethylformamide 1.364 1 3
    1.465 3 4
    1.462 3 5
C4H9N Pyrrolidine 1.484 1 3
    1.474 1 4
C(NH2)H2CH2CH2CH3 1-Butanamine 1.470 1 2
NH(C2H5)2 diethylamine 1.470 1 2
    1.470 1 3
NC4H12+ tetramethyl ammonium cation 1.520 1 2
    1.520 1 3
    1.520 1 4
    1.520 1 5
C2H2N4 sym-tetrazine 1.351 1 3
    1.351 2 5
    1.351 2 6
C4H2N2 Fumaronitrile 1.168 3 5
    1.168 4 6
C2H3NO3 Oxamic acid 1.343 2 6
C4H4N2 Pyrazine 1.351 1 3
    1.351 1 4
    1.351 2 5
    1.351 2 6
C2H4N2S2 Ethanedithioamide 1.329 1 5
    1.329 2 6
C5H6N+ Pyridinium 1.359 1 2
    1.359 1 3
C5H7N Cyclobutanecarbonitrile 1.168 1 2
CH3CH(NH2)COOH Alanine 1.477 1 3
NH2CH2CH2COOH β–alanine 1.485 1 2
CH3NHCH2COOH Sarcosine 1.475 1 2
    1.471 1 3
C4H7NO Ethoxyacetonitrile 1.165 5 6
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.377 1 3
    1.377 1 4
    1.462 3 5
    1.462 4 6
C5H11N Piperidine 1.475 6 8
    1.475 7 8
CH(CN)3 tricyanomethane 1.163 3 6
    1.163 4 7
    1.163 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.204 2 3
    1.167 4 6
    1.167 5 7
HO2CCHNH2CH2OH Serine 1.471 4 7
C6H13N cyclohexanamine 1.470 4 7
C6H13N 2-Methylpiperidine 1.477 4 5
    1.474 5 6
C6H15N triethylamine 1.476 1 2
    1.476 1 3
    1.476 1 4
C6H5CN phenyl cyanide 1.166 1 2
C6H5NO nitrosobenzene 1.447 1 7
C8H6 benzocyclobutadiene 1.357 4 8
    1.537 5 8
    1.445 7 8
C5H9NO2 Proline 1.468 1 5
    1.478 4 5
C6H12N2 Triethylenediamine 1.486 1 3
    1.486 1 4
    1.486 1 5
    1.486 2 6
    1.486 2 7
    1.486 2 8
C(CN)4 tetracyanomethane 1.160 2 6
    1.160 3 7
    1.160 4 8
    1.160 5 9
C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- 1.338 1 5
    1.338 1 6
    1.338 2 4
    1.338 2 6
    1.338 3 4
    1.338 3 5
C3H3N3O3 cyanuric acid 1.390 1 4
    1.390 1 6
    1.390 2 4
    1.390 2 5
    1.390 3 5
    1.390 3 6
C5H4N4 purine 1.392 8 9
    1.334 2 3
    1.368 4 9
    1.398 5 7
    1.312 7 8
    1.343 3 4
    1.363 1 2
    1.334 1 6
C8H7N Indole 1.393 1 2
    1.388 1 8
C6N4 Tetracyanoethylene 1.161 3 7
    1.161 4 8
    1.161 5 9
    1.161 6 10
C12H10N2 azobenzene 1.431 1 3
    1.431 2 4