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Compare Calculated Bonds for N-C

17 01 10 14 40

M06-2X/Def2TZVPP

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


Values greater than 1.65 are in the 1.65 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 1.65
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.271 0.119

  Species Name Bond Length (Å)
Lowest value HNC+ hydrogen isocyanide cation 1.128
Highest value CHNCH2 2H-Azirine 1.551

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
CN Cyano radical 1.152 1 2
HCN Hydrogen cyanide 1.142 1 3
HCN+ hydrogen cyanide cation 1.201 1 3
HNC+ hydrogen isocyanide cation 1.128 1 2
CH2NH Methanimine 1.260 1 2
CH2NH+ Methanimine cation 1.225 1 2
CHNH2 aminomethylene 1.305 1 2
CH3NH2 methyl amine 1.459 1 2
CH3NH3 methyl ammonium radical 1.498 1 2
CNN Diazocarbene 1.224 1 2
AlCN Aluminum monocyanide 1.153 2 3
AlNC Aluminum isocyanide 1.173 2 3
ZnCN Zinc monocyanide 1.152 2 3
ZnNC Zinc isocyanide 1.170 2 3
NCO isocyanato radical 1.222 1 2
BrCN Cyanogen bromide 1.148 1 2
ICN Cyanogen iodide 1.148 2 3
HCNO fulminic acid 1.149 2 3
HSCN thiocyanic acid 1.149 2 3
HNCS Isothiocyanic acid 1.192 1 2
HNCNH diiminomethane 1.216 1 2
    1.216 1 3
CH3CN- acetonitrile anion 1.210 2 3
CH3CN Acetonitrile 1.145 2 3
CHNCH2 2H-Azirine 1.246 1 2
    1.551 1 3
HCNCH2+ 2H-Azirine cation 1.198 1 2
    1.460 1 3
CHNHCH 1H-Azirine 1.501 1 2
    1.501 1 3
NH3CN+ cyanamide, amine protonated 1.405 1 2
    1.141 1 3
H2CCNH Ethenimine 1.217 2 3
HCCNH2 Ethynamine 1.352 2 3
NH2CNH+ cyanamide, cn protonated 1.142 1 2
    1.283 1 3
H2CNCH methyleneaminomethylene 1.269 1 2
    1.213 2 3
HOCHNH hydroxymethylimine 1.252 1 3
CHSNH2 thioformamide 1.337 1 3
NHCHSH Methanimidothioic acid 1.259 1 2
NH2CHOH+ Formamide, O-protonated 1.291 1 3
NH2CH2OH aminomethanol 1.435 1 2
C2H6N+ aziridine, protonated 1.485 1 2
    1.485 1 3
HNCCNH Ethenediimine 1.236 1 3
    1.236 2 4
H2CNCN cyanamide, methylene 1.150 3 4
    1.268 1 2
    1.347 2 3
CH3NO2 Methane, nitro- 1.490 1 2
HOCH2CN cyanomethanol 1.145 2 7
CH3NCO methylisocyante 1.435 1 2
    1.191 2 3
C2H3NO Nitrosoethylene 1.433 2 3
C2H5CN ethyl cyanide 1.146 3 4
CH3C(OH)=NH Ethaninidic acid 1.261 1 3
CH3CSNH2 Ethanethioamide 1.342 1 4
H2NCHCHNH2 diaminoethylene 1.411 1 3
    1.411 2 4
C2H2N2O Furazan 1.295 2 4
    1.295 3 5
C3H3NO Isoxazole 1.299 2 4
C3H3NS Thiazole 1.294 2 4
    1.369 4 5
C4H5N Pyrrole 1.366 1 3
    1.366 1 4
CH(CN)3 tricyanomethane 1.143 3 6
    1.143 4 7
    1.143 5 8
HN=C=C(CN)2 Dicyanoketenimine 1.192 2 3
    1.147 4 6
    1.147 5 7