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Compare Calculated Bonds for H-N

17 01 10 14 40

SVWN/TZVP

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


Values greater than 3.20 are in the 3.20 bin. Values less than 0.80 are in the 0.80 bin.

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0.80 1.00 1.20 1.40 1.60 1.80 2.00 2.20 2.40 2.60 2.80 3.00 3.20
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.054 0.197

  Species Name Bond Length (Å)
Lowest value CH3NH3 methyl ammonium radical 0.949
Highest value CH2N4 1H-Tetrazole 3.218

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH- Imidogen anion 1.058 1 2
NH Imidogen 1.056 1 2
NH+ imidogen cation 1.099 1 2
NH2- amino anion 1.042 1 2
    1.042 1 3
NH2 Amino radical 1.038 1 2
    1.038 1 3
ND2 Amidogen-d2 1.038 1 2
    1.038 1 3
NH3 Ammonia 1.019 1 2
    1.019 1 3
    1.019 1 4
NH3+ ammonia cation 1.037 1 2
    1.037 1 3
    1.037 1 4
ND3 Ammonia-d3 1.019 1 2
    1.019 1 3
    1.019 1 4
NH4+ ammonium cation 1.034 1 2
    1.034 1 3
    1.034 1 4
    1.034 1 5
HNC hydrogen isocyanide 1.008 2 3
NNH Dinitrogen monohydride 1.079 2 3
NNH+ Dinitrogen monohydride cation 1.051 2 3
HNB hydrogen nitrogen boron 1.003 1 3
HNO- Nitrosyl hydride anion 1.088 1 2
HNO Nitrosyl hydride 1.085 1 2
HNO+ Nitrosyl hydride cation 1.093 1 2
HNS- Sulfur imide anion 1.039 2 3
CNH2+ N-protonated hydrogen isocyanide 1.051 2 3
    1.051 2 4
N2H2 (E)-diazene 1.046 1 3
    1.046 2 4
NH2F monofluoroamine 1.031 1 3
    1.031 1 4
NH2Cl chloramine 1.026 1 3
    1.026 1 4
CH2NH Methanimine 1.031 2 5
NH2OH hydroxylamine 1.026 1 4
    1.026 1 5
N2H4 Hydrazine 1.023 1 3
    1.019 1 5
    1.023 2 4
    1.019 2 6
N2H4+ hydrazine cation 1.024 1 3
    1.024 1 5
    1.024 2 4
    1.024 2 6
CH2NH2+ methyleneamine cation 1.030 2 5
    1.030 2 6
CH3NH2 methyl amine 1.020 2 6
    1.020 2 7
CH3NH2+ methyl amine cation 1.030 2 6
    1.030 2 7
H2ONH3 Water Ammonia Dimer 1.760 1 3
    1.021 3 5
    1.022 3 6
    1.022 3 7
NH3NH3 Ammonia Dimer 1.028 1 2
    1.028 3 6
    1.020 2 4
    1.020 2 5
BH3NH3 borane ammonia 1.026 2 6
    1.026 2 7
    1.026 2 8
CH3NH3 methyl ammonium radical 1.061 2 6
    1.341 2 7
    0.949 2 8
CH3NH3+ protonated methylamine 1.034 2 6
    1.034 2 7
    1.034 2 8
HN3 hydrogen azide 1.025 1 4
HNCO Isocyanic acid 1.010 1 2
HNCNH diiminomethane 1.016 2 4
    1.016 3 5
NH2CN cyanamide 1.016 3 4
    1.016 3 5
CHNHCH 1H-Azirine 1.035 1 4
CHONH2 formamide 1.018 3 5
    1.015 3 6
NHCHNH2 aminomethanimine 1.011 2 5
    1.017 2 6
    1.022 3 7
C2H5N Aziridine 1.023 1 2
CH2CHNH2 aminoethene 1.016 3 7
    1.013 3 8
CH3CHNH ethanimine 1.030 3 8
CH3CH2NH2 Ethylamine 1.022 1 9
    1.022 1 10
CH3NHCH3 Dimethylamine 1.020 1 2
NH2CONH2 Urea 1.015 3 5
    1.016 3 6
    1.015 4 7
    1.016 4 8
NH2CONH2+ Urea cation 1.019 3 5
    1.015 3 6
    1.019 4 7
    1.015 4 8
NH2CSNH2 Thiourea 1.015 3 5
    1.017 3 6
    1.015 4 7
    1.017 4 8
CH5N3 Guanidine 1.025 2 5
    1.015 3 6
    1.018 3 7
    1.018 4 8
    1.018 4 9
CH3CONH2 Acetamide 1.017 3 8
    1.014 3 9
HCONHCH3 N-methylformamide 1.016 3 6
C3H7N Cyclopropylamine 1.021 3 6
    1.021 3 7
HOCH2CH2NH2 monoethanolamine 1.022 1 5
    1.018 1 6
C2H8N2 Ethylenediamine 1.022 3 7
    1.022 3 8
    1.022 4 5
    1.022 4 6
CH3NHNHCH3 dimethyl hydrazine 1.021 1 5
    1.021 2 6
CH3CH(NH2)CH3 2-Propanamine 1.022 2 6
    1.022 2 7
NH2CH2CH2CH3 1-Propanamine 1.022 4 12
    1.022 4 13
CH2N4 1H-Tetrazole 3.218 2 7
C3H4N2 1H-Pyrazole 0.987 8 9
C3H4N2 1H-Imidazole 2.105 1 6
C4H5N Pyrrole 1.004 1 2
H2NCH2COOH Glycine 1.022 5 9
    1.022 5 10
CH2CHCONH2 Acrylamide 1.016 3 7
    1.015 3 8
CH5N3S Hydrazinecarbothioamide 1.025 1 2
    1.028 5 7
    1.025 6 7
    1.025 8 10
    1.021 9 10
C3H6N2 3-Aminopropionitrile 1.020 1 3
    1.020 2 3
C2H6N2O Urea, methyl- 1.023 5 6
    1.026 8 10
    1.023 9 10
C3H7NO Propanamide 2.490 1 3
    1.506 2 3
C4H9N Pyrrolidine 1.020 1 2
C4H9N Cyclobutylamine 1.030 1 2
    1.030 1 3
C3H10N2 1,2-Diaminopropane 1.025 1 2
    1.023 1 3
    1.024 4 5
    1.025 4 6
C(CH3)3NH2 2-Propanamine, 2-methyl- 1.024 2 6
    1.024 2 7
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1.023 1 2
    1.023 1 3
C(NH2)H2CH2CH2CH3 1-Butanamine 1.022 1 6
    1.022 1 7
NH(C2H5)2 diethylamine 1.025 1 6
CH3C(NH2)HCH2CH3 2-Butanamine 1.024 1 2
    1.024 1 3
CH3N5 5-Aminotetrazole 0.998 2 3
    1.024 7 9
    1.024 8 9
C2H3NO3 Oxamic acid 1.015 6 7
    1.018 6 8
C2H4N4 1H-Tetrazole, 5-methyl- 1.017 7 10
C2H4N2O2 Oxalamide 1.015 5 7
    1.023 5 8
    1.015 6 9
    1.023 6 10
C2H4N2S2 Ethanedithioamide 1.036 5 7
    1.016 5 8
    1.036 6 9
    1.016 6 10
C4H6N2 1H-Imidazole, 2-methyl- 0.990 5 6
B3N3H6 borazine 1.017 1 7
    1.017 2 8
    1.017 3 9
CH6N4S Carbonothioic dihydrazide 1.030 3 11
    1.019 4 9
    1.019 4 10
    1.022 5 12
    1.023 6 7
    1.023 6 8
HCONH2CN2H4 formamide aminomethanimine dimer 1.090 1 2
    1.634 1 3
    1.016 2 9
    1.020 3 11
    1.060 7 8
    1.013 7 13
NH2COOC2H5 Urethane 1.025 9 10
    1.021 9 11
CH3CH(NH2)COOH Alanine 1.023 1 7
    1.020 1 8
NH2CH2CH2COOH β–alanine 1.020 1 7
    1.022 1 8
CH3NHCH2COOH Sarcosine 1.022 1 7
C4H7NO 2-Pyrrolidinone 1.017 1 7
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.016 3 7
    1.016 4 8
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.015 1 6
    1.016 5 6
NH2CONHC2H5 Urea, ethyl- 1.024 8 9
    1.022 10 11
    1.026 10 12
C5H9N 1,2,3,6-Tetrahydropyridine 1.021 14 15
C4H9NO Butanamide 1.025 11 12
    1.026 11 13
C4H9NO Propanamide, 2-methyl- 1.017 10 11
    1.014 10 12
C5H11N Piperidine 1.020 8 9
C5H11N Cyclopentanamine 1.024 1 4
    1.024 1 5
C4H12N2 2-Methyl-1,2-propanediamine 1.021 4 5
    1.021 4 6
    1.026 7 8
    1.026 7 9
C4H12N2 1,2-Butanediamine 1.025 1 2
    1.023 1 3
    1.025 8 9
    1.023 8 10
C5H5NO 4(1H)-Pryidinone 1.015 1 12
C5H5NO 2(1H)-Pyridinone 1.020 1 12
C6H5NH2 aniline 1.018 7 13
    1.018 7 14
HO2CCHNH2CH2OH Serine 1.020 7 13
    1.022 7 14
C6H13N 2-Methylpiperidine 1.024 5 15
C4H4N2O2 Uracil 1.019 3 10
    1.016 6 12
C5H9NO2 Proline 1.021 5 16
C3H3N3O3 cyanuric acid 1.021 4 10
    1.021 5 11
    1.021 6 12
C5H4N4 purine 1.016 9 13
C8H7N Indole 1.014 1 10