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Compare Calculated Bonds for N-C

17 01 10 14 40

CCSD(T)/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
1.336 0.118

  Species Name Bond Length (Å)
Lowest value C2H5NH+ Protonated Aziridine 1.022
Highest value CHNCH2 2H-Azirine 1.592

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.202 1 2
CN+ Cyano cation 1.183 1 2
HCN Hydrogen cyanide 1.176 1 3
HCN+ hydrogen cyanide cation 1.234 1 3
HNC+ hydrogen isocyanide cation 1.155 1 2
H2CN Dihydrogen cyanide radical 1.268 1 2
H2CN+ hydrocyanonium cation 1.225 1 2
CNH2 Aminomethylidyne radical 1.317 1 2
CNH2+ N-protonated hydrogen isocyanide 1.267 1 2
HCNH methyleneazane 1.255 1 2
HCNH+ N-protonated HCN 1.155 1 2
CH2NH Methanimine 1.292 1 2
CH2NH+ Methanimine cation 1.253 1 2
CHNH2 aminomethylene 1.332 1 2
CH2NH2+ methyleneamine cation 1.293 1 2
CH3NH2 methyl amine 1.480 1 2
CH3NH2+ methyl amine cation 1.442 1 2
CH3NH3+ protonated methylamine 1.520 1 2
NCN Cyanoimidogen 1.250 1 2
    1.250 1 3
LiCN lithium cyanide 1.199 2 3
CNN Diazocarbene 1.251 1 2
CN2 3H-Diazirin-3-ylidene 1.414 1 2
    1.414 1 3
NaCN Sodium Cyanide 1.202 1 2
AlCN Aluminum monocyanide 1.188 2 3
AlNC Aluminum isocyanide 1.203 2 3
NCO- cyanate 1.212 1 2
NCO isocyanato radical 1.250 1 2
CNO- fulminate 1.207 1 2
SCN thiocyanato radical 1.195 1 3
CNF iso cyanogen fluoride 1.203 1 2
BrCN Cyanogen bromide 1.181 1 2
HCCN cyanomethylene 1.208 2 3
HCNO fulminic acid 1.189 2 3
HSCN thiocyanic acid 1.182 2 3
HNCS Isothiocyanic acid 1.227 1 2
HNCNH diiminomethane 1.246 1 2
    1.246 1 3
CH2N2 diazirine 1.497 1 2
    1.497 1 3
CH2NN diazomethane 1.317 1 2
NH2CN cyanamide 1.183 1 2
    1.348 1 3
CH3CN- acetonitrile anion 1.180 2 3
CH3CN Acetonitrile 1.178 2 3
CH3CN+ Acetonitrile cation 1.235 2 3
CHNCH2 2H-Azirine 1.279 1 2
    1.592 1 3
HCNCH2+ 2H-Azirine cation 1.229 1 2
    1.490 1 3
CHNHCH 1H-Azirine 1.543 1 2
    1.543 1 3
NCNH3+ Cyanamide, protonated 1.176 1 2
    1.426 1 3
HNCNH2+ diiminomethane, protonated 1.186 1 2
    1.297 1 3
NH3CN+ cyanamide, amine protonated 1.426 1 2
    1.176 1 3
HCCNH2 Ethynamine 1.379 2 3
NH2CNH+ cyanamide, cn protonated 1.167 1 2
    1.305 1 3
CHONH2 formamide 1.372 1 3
CH2NOH formaldoxime 1.292 1 2
CH3NO nitrosomethane 1.498 1 2
CNOH3 1,2-oxaziridine 1.454 1 2
HOCHNH hydroxymethylimine 1.284 1 3
CHSNH2 thioformamide 1.358 1 3
NHCHSH Methanimidothioic acid 1.289 1 2
CH3CHN methylmethaniminyl radical 1.269 1 3
CH2CHNH vinylazine 1.330 1 3
H2CONH2+ protonated formamide 1.310 1 3
NH2CHOH+ Formamide, O-protonated 1.310 1 3
CH2NCH3 N-methylmethanimine 1.470 1 2
    1.287 2 3
CH3CHNH ethanimine 1.292 2 3
NH2CH2NH2 diaminomethane 1.473 1 2
    1.473 1 3
C2H5NH+ Protonated Aziridine 1.022 1 2
    1.022 1 3
(CH3)2NH2+ dimethylammonium cation 1.513 1 2
    1.513 1 3
CH3CH2NH3+ ethylamine, protonated 1.532 1 2
C2N2 Cyanogen 1.180 1 3
    1.180 2 4
HNCCNH Ethenediimine 1.268 1 3
    1.268 2 4
H2CNCN cyanamide, methylene 1.183 3 4
    1.299 1 2
    1.373 2 3
C3H3N+ acrylonitrile cation 1.197 1 2
CH3N3 methyl azide 1.489 1 2
CH3NO2 Methane, nitro- 1.504 1 2
HOCH2CN cyanomethanol 1.179 2 7
NH2COOH Carbamic acid 1.375 1 3
CH3NCO methylisocyante 1.464 1 2
    1.225 2 3
NH2CH2CN Aminoacetonitrile 1.179 3 4
    1.471 1 2
NH2CCNH2 Diaminoacetylene 1.381 1 3
    1.381 2 4
NH2CONH2 Urea 1.401 1 3
    1.401 1 4
NH3COOH+ protonated Carbamic acid 1.536 1 3
NH2COOH2+ Carbamic acid, O-protonated 1.320 1 3
C2H5CN ethyl cyanide 1.179 3 4
CH5N3 Guanidine 1.295 1 2
    1.413 1 3
    1.408 1 4
CH3CHNOH Acetaldoxime 1.296 2 3
HCONHCH3 N-methylformamide 1.368 1 3
    1.465 3 4
CH5N2O+ urea, N-protonated 1.574 1 3
    1.346 1 4
CH3C(OH)=NH Ethaninidic acid 1.288 1 3
H2NCOHNH2+ urea, protonated 1.336 1 3
    1.329 1 4
H2NCHCHNH2 diaminoethylene 1.433 1 3
    1.433 2 4
CH3NNCH3 (Z)-1,2-Dimethyldiazene 1.494 1 3
    1.494 2 4
CH6N3+ guanidinium 1.344 1 2
    1.344 1 3
    1.344 1 4
CH3NNCH3 (E)-1,2-Dimethyldiazene 1.481 1 3
    1.481 2 4
CH7N3 triaminomethane 1.471 1 3
    1.471 1 4
    1.471 1 5
HOCH2CH2NH2 monoethanolamine 1.483 1 2
NH2CH2CH2CH3 1-Propanamine 1.478 3 4
C3H7NH3+ n-propylamine, protonated 1.531 3 4
CH2N4 1H-Tetrazole 1.358 1 2
    1.330 1 5
C2H2N2O Furazan 1.322 2 4
    1.322 3 5
C3H3N2- imidizolyl anion 1.366 1 2
    1.366 1 3
    1.389 2 4
    1.389 3 5
C3H3N2 imidazolyl radical 1.389 1 2
    1.389 1 3
    1.334 2 4
    1.334 3 5
C3H3NS Thiazole 1.318 2 4
    1.394 4 5
C3H4N2 1H-Imidazole 1.331 2 4
    1.396 4 5
    1.378 1 2
    1.392 1 3
C3H4N2 4H-Imidazole 1.302 2 3
    1.475 3 4
    1.447 1 2
    1.306 1 5
C3H4N2 2H-Imidazole 1.367 1 2
    1.367 1 3
    1.273 2 4
    1.273 3 5
C4H4N- pyrrolide anion 1.381 1 2
    1.381 1 3
C4H4N pyrrolide radical 1.361 1 2
    1.361 1 3
CH3OCH2CN Methoxyacetonitrile 1.179 4 5
C4H6N+ pyrrole, protonated 1.494 1 2
    1.494 1 3
C4H6N+ pyrrole, beta-protonated 1.312 1 2
    1.444 1 3
C4H6N+ pyrrole, alpha-protonated 1.474 1 2
    1.318 1 3
CH3CH(CH3)CN Propanenitrile, 2-methyl- 1.179 1 2
CH3CH2CH2CN Butanenitrile 1.179 1 2
NC4H12+ tetramethyl ammonium cation 1.510 1 2
    1.510 1 3
    1.510 1 4
    1.510 1 5
C4H2N2 Fumaronitrile 1.180 3 5
    1.180 4 6
C2H4N2S2 Ethanedithioamide 1.345 1 5
    1.345 2 6
C5H6N+ Pyridinium 1.362 1 2
    1.362 1 3
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.398 1 3
    1.398 1 4
    1.470 3 5
    1.470 4 6
CH(CN)3 tricyanomethane 1.177 3 6
    1.177 4 7
    1.177 5 8