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Compare Calculated Bonds for N-C

17 01 10 14 40

HF/aug-cc-pVQZ

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.60 are in the 1.60 bin. Values less than 1.10 are in the 1.10 bin.

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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
1.280 0.123

  Species Name Bond Length (Å)
Lowest value HCNH+ N-protonated HCN 1.109
Highest value CH3NH3+ protonated methylamine 1.502

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN- cyanide anion 1.151 1 2
CN Cyano radical 1.148 1 2
CN+ Cyano cation 1.148 1 2
HCN Hydrogen cyanide 1.123 1 3
HCN+ hydrogen cyanide cation 1.179 1 3
HNC hydrogen isocyanide 1.144 1 2
HNC+ hydrogen isocyanide cation 1.123 1 2
H2CN Dihydrogen cyanide radical 1.249 1 2
H2CN+ hydrocyanonium cation 1.199 1 2
CNH2 Aminomethylidyne radical 1.287 1 2
CNH2+ N-protonated hydrogen isocyanide 1.225 1 2
HCNH methyleneazane 1.222 1 2
HCNH+ N-protonated HCN 1.109 1 2
CH2NH Methanimine 1.246 1 2
CH2NH+ Methanimine cation 1.235 1 2
CHNH2 aminomethylene 1.300 1 2
CH2NH2+ methyleneamine cation 1.258 1 2
CH3NH2 methyl amine 1.451 1 2
CH3NH2+ methyl amine cation 1.453 1 2
CH3NH3 methyl ammonium radical 1.488 1 2
CH3NH3+ protonated methylamine 1.502 1 2
NCN Cyanoimidogen 1.224 1 2
    1.224 1 3
LiCN lithium cyanide 1.153 2 3
CNN Diazocarbene 1.188 1 2
CN2 3H-Diazirin-3-ylidene 1.349 1 2
    1.349 1 3
NaCN Sodium Cyanide 1.152 1 2
AlCN Aluminum monocyanide 1.134 2 3
AlNC Aluminum isocyanide 1.157 2 3
ZnCN Zinc monocyanide 1.134 2 3
ZnNC Zinc isocyanide 1.153 2 3
NCO- cyanate 1.161 1 2
NCO isocyanato radical 1.209 1 2
CNO- fulminate 1.144 1 2
SCN thiocyanato radical 1.151 1 3
CNF iso cyanogen fluoride 1.141 1 2
BrCN Cyanogen bromide 1.126 1 2
HCCN cyanomethylene 1.206 2 3
HCNO fulminic acid 1.122 2 3
HNCNH diiminomethane 1.203 1 2
    1.203 1 3
CH3CN- acetonitrile anion 1.127 2 3
CH3CN Acetonitrile 1.126 2 3
CH3CN+ Acetonitrile cation 1.185 2 3
HCNCH2+ 2H-Azirine cation 1.172 1 2
    1.491 1 3
HNCNH2+ diiminomethane, protonated 1.123 1 2
    1.279 1 3
NH3CN+ cyanamide, amine protonated 1.397 1 2
    1.119 1 3
NH2CNH+ cyanamide, cn protonated 1.123 1 2
    1.279 1 3
CHONH2 formamide 1.345 1 3
CH2NOH formaldoxime 1.244 1 2
CH3NO nitrosomethane 1.461 1 2
CNOH3 1,2-oxaziridine 1.405 1 2
HOCHNH hydroxymethylimine 1.242 1 3
NHCHSH Methanimidothioic acid 1.243 1 2
CH3CHN methylmethaniminyl radical 1.248 1 3
H2CONH2+ protonated formamide 1.280 1 3
NH2CHOH+ Formamide, O-protonated 1.280 1 3
CH2NCH3 N-methylmethanimine 1.442 1 2
    1.241 2 3
CH3CHNH ethanimine 1.248 2 3
C2H6N+ aziridine, protonated 1.485 1 2
    1.485 1 3
C2N2 Cyanogen 1.124 1 3
    1.124 2 4
HNCCNH Ethenediimine 1.221 1 3
    1.221 2 4
H2CNCN cyanamide, methylene 1.252 1 2
    1.128 3 4
    1.345 2 3
C3H3N+ acrylonitrile cation 1.159 1 2
CH3NO2 Methane, nitro- 1.480 1 2
CH3NCO methylisocyante 1.439 1 2
    1.177 2 3
C2H3NO Nitrosoethylene 1.424 2 3
NH2CONH2 Urea 1.357 1 3
    1.357 1 4
C2H5CN ethyl cyanide 1.126 3 4
CH5N3 Guanidine 1.257 1 2
    1.381 1 3
    1.377 1 4
CH7N3 triaminomethane 1.446 1 3
    1.446 1 4
    1.446 1 5
CH3NHNHCH3 dimethyl hydrazine 1.446 1 3
    1.446 2 4
C2H2N2O Furazan 1.270 2 4
    1.270 3 5
C3H3NO Isoxazole 1.276 2 4
C3H4N2 4H-Imidazole 1.253 2 3
    1.444 3 4
    1.418 1 2
    1.259 1 5
C3H7NO dimethylformamide 1.343 1 3
    1.444 3 4
    1.439 3 5
C2H2N4 sym-tetrazine 1.314 1 3
    1.314 2 5
    1.314 2 6
C6H12N2 Triethylenediamine 1.456 1 3
    1.456 1 4
    1.456 1 5
    1.456 2 6
    1.456 2 7
    1.456 2 8