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Compare Calculated Bonds for N-H

17 01 10 14 40

B2PLYP=FULLultrafine/6-31G*

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


Values greater than 1.90 are in the 1.90 bin. Values less than 1.00 are in the 1.00 bin.

histogram chart 140 line line line line line line line line line line line line line line line line line line line line line line line line line line line line line line
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histogram chart 60 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 40 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
histogram chart 20 line histogram chart line line line line line line line line line line line line line line line line line line line line line line line line line line line line
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1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.027 0.063

  Species Name Bond Length (Å)
Lowest value NH2BHNH2 diaminoborane 1.006
Highest value NH4Cl Ammonium chloride 1.712

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2 Amino radical 1.030 1 2
    1.030 1 3
NH3- Ammonia anion 1.088 1 2
    1.088 1 3
    1.088 1 4
NH3 Ammonia 1.017 1 2
    1.017 1 3
    1.017 1 4
NH3+ ammonia cation 1.026 1 2
    1.026 1 3
    1.026 1 4
NH4 Ammonium radical 1.080 1 2
    1.080 1 3
    1.080 1 4
    1.080 1 5
HNC+ hydrogen isocyanide cation 1.022 2 3
HNO- Nitrosyl hydride anion 1.077 1 2
HNO Nitrosyl hydride 1.063 1 2
HNO+ Nitrosyl hydride cation 1.072 1 2
LiNH2 lithium amide 1.018 2 3
    1.018 2 4
H2NN Isodiazene 1.046 1 3
    1.046 1 4
NH2F monofluoroamine 1.023 1 3
    1.023 1 4
NH2Cl chloramine 1.021 1 3
    1.021 1 4
CH2NH+ Methanimine cation 1.023 2 5
CHNH2 aminomethylene 1.023 2 4
    1.015 2 5
NH2OH hydroxylamine 1.020 1 4
    1.020 1 5
NH2OH+ Hydroxylamine cation 1.023 1 4
    1.021 1 5
BH2NH2 Boranamine 1.010 2 5
    1.010 2 6
NH4Cl Ammonium chloride 1.017 1 3
    1.017 1 4
    1.017 1 5
    1.712 1 6
CH3NH2 methyl amine 1.017 2 6
    1.017 2 7
CH3NH2+ methyl amine cation 1.023 2 6
    1.023 2 7
SiH3NH2 Silane, amino 1.012 2 6
    1.012 2 7
BH3NH3 borane ammonia 1.019 2 6
    1.019 2 7
    1.019 2 8
HN3+ Hydrazoic acid cation 1.041 1 4
NHCl2 dichloroamine 1.025 1 2
HNCNH diiminomethane 1.014 2 4
    1.014 3 5
NH2CN cyanamide 1.013 3 4
    1.013 3 5
NH2NN+ hydrazoic acid, protonated 1.023 3 4
    1.023 3 5
HNNNH+ 1,2-Triazadienium 1.032 2 4
    1.032 3 5
CHSNH2 thioformamide 1.011 3 5
    1.009 3 6
NHCHSH Methanimidothioic acid 1.023 1 4
NH2BHNH2 diaminoborane 1.006 3 5
    1.009 3 6
    1.006 4 7
    1.009 4 8
HNCCNH Ethenediimine 1.027 3 5
    1.027 4 6
HCONHCH3 N-methylformamide 1.009 3 6
C3H4N2 1H-Imidazole 1.009 1 6
C4H5N Pyrrole 1.008 1 2
CH2CHCONH2 Acrylamide 1.009 3 7
    1.008 3 8
CH5N3S Hydrazinecarbothioamide 1.020 1 2
    1.021 5 7
    1.018 6 7
    1.020 8 10
    1.015 9 10
C2H6N2O Urea, methyl- 1.009 5 6
    1.010 8 10
    1.010 9 10
C4H9N Pyrrolidine 1.016 1 2
C4H9N Cyclobutylamine 1.017 1 2
    1.017 1 3
C3H10N2 1,2-Diaminopropane 1.016 1 2
    1.017 1 3
    1.015 4 5
    1.016 4 6
C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- 1.017 1 2
    1.017 1 3
NH(C2H5)2 diethylamine 1.020 1 6
CH3C(NH2)HCH2CH3 2-Butanamine 1.016 1 2
    1.017 1 3
CH3N5 5-Aminotetrazole 1.009 2 3
    1.012 7 9
    1.012 8 9
C2H3NO3 Oxamic acid 1.008 6 7
    1.009 6 8
C2H4N4 1H-Tetrazole, 5-methyl- 1.010 7 10
C4H6N2 1H-Imidazole, 2-methyl- 1.009 5 6
CH3CH(NH2)COOH Alanine 1.017 1 7
    1.015 1 8
NH2CH2CH2COOH β–alanine 1.016 1 7
    1.017 1 8
CH3NHCH2COOH Sarcosine 1.017 1 7
C4H7NO 2-Pyrrolidinone 1.011 1 7
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.010 5 6
    1.010 1 6
NH2CONHC2H5 Urea, ethyl- 1.011 8 9
    1.010 10 11
    1.010 10 12
C5H9N 1,2,3,6-Tetrahydropyridine 1.017 14 15
C4H9NO Butanamide 1.009 11 12
    1.007 11 13
C4H9NO Propanamide, 2-methyl- 1.010 10 11
    1.007 10 12
C5H11N Piperidine 1.016 8 9
C5H11N Cyclopentanamine 1.017 1 4
    1.017 1 5
C4H12N2 2-Methyl-1,2-propanediamine 1.015 4 5
    1.015 4 6
    1.018 7 8
    1.018 7 9
C4H12N2 1,2-Butanediamine 1.016 1 2
    1.015 1 3
    1.017 8 9
    1.016 8 10
HN=C=C(CN)2 Dicyanoketenimine 1.019 3 8
C5H5NO 4(1H)-Pryidinone 1.008 1 12
C5H5NO 2(1H)-Pyridinone 1.013 1 12
C6H5NH2 aniline 1.012 7 13
    1.012 7 14