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Compare Calculated Bonds for H-N

17 01 10 14 40

B3LYPultrafine/3-21G

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


Values greater than 2.00 are in the 2.00 bin. Values less than 0.90 are in the 0.90 bin.

histogram chart 200 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 line line line line line line
histogram chart 150 line line line 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 line line line
histogram chart 100 line line line 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 line line line
histogram chart 50 line line line 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 line line line
histogram chart 0 line line line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line histogram chart line line line line line histogram chart line line histogram chart line line line line line line line
0.90 1.00 1.10 1.20 1.30 1.40 1.50 1.60 1.70 1.80 1.90 2.00
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.051 0.098

  Species Name Bond Length (Å)
Lowest value HNCS Isothiocyanic acid 0.994
Highest value H2ONH3 Water Ammonia Dimer 1.812

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2 Amino radical 1.055 1 2
    1.055 1 3
NH2+ Amino cation 1.048 1 2
    1.048 1 3
NH3- Ammonia anion 1.162 1 2
    1.162 1 3
    1.162 1 4
NH3 Ammonia 1.022 1 2
    1.022 1 3
    1.022 1 4
NH3+ ammonia cation 1.036 1 2
    1.036 1 3
    1.036 1 4
NH4 Ammonium radical 1.116 1 2
    1.116 1 3
    1.116 1 4
    1.116 1 5
NH4+ ammonium cation 1.038 1 2
    1.038 1 3
    1.038 1 4
    1.038 1 5
HNC+ hydrogen isocyanide cation 1.026 2 3
NNH+ Dinitrogen monohydride cation 1.043 2 3
HNO Nitrosyl hydride 1.083 1 2
HNO+ Nitrosyl hydride cation 1.080 1 2
LiNH2 lithium amide 1.031 2 3
    1.031 2 4
HBNH Boranimine 0.999 2 4
N2H2 (Z)-Diazene 1.063 1 3
    1.063 2 4
N2H2 (E)-diazene 1.052 1 3
    1.052 2 4
N2H2+ trans-diazene cation 1.051 1 3
    1.051 2 4
H2NN Isodiazene 1.052 1 3
    1.052 1 4
H2NO nitroxide 1.019 1 3
    1.019 1 4
NH2Cl chloramine 1.038 1 3
    1.038 1 4
CH2NH Methanimine 1.040 2 5
CH2NH+ Methanimine cation 1.028 2 5
CHNH2 aminomethylene 1.032 2 4
    1.021 2 5
NH2OH hydroxylamine 1.035 1 4
    1.035 1 5
NH2OH+ Hydroxylamine cation 1.031 1 4
    1.028 1 5
NH2SH Thiohydroxylamine 1.025 1 4
    1.025 1 5
NH3S sulfidoazane 1.027 1 3
    1.027 1 4
    1.027 1 5
N2H4 Hydrazine 1.029 1 3
    1.029 2 4
    1.023 1 5
    1.023 2 6
N2H4+ hydrazine cation 1.021 1 3
    1.021 2 4
    1.021 1 5
    1.021 2 6
CH2NH2+ methyleneamine cation 1.029 2 5
    1.029 2 6
BH2NH2 Boranamine 1.018 2 5
    1.018 2 6
NH3OH+ N-protonated hydroxylamine 1.037 1 4
    1.039 1 5
    1.039 1 6
NH2OH2+ protonated hydroxylamine 1.037 1 3
    1.038 1 4
NH4Cl Ammonium chloride 1.027 1 3
    1.027 1 4
    1.027 1 5
    1.275 1 6
CH3NH2 methyl amine 1.023 2 6
    1.023 2 7
CH3NH2+ methyl amine cation 1.032 2 6
    1.032 2 7
N2H5+ protonated hydrazine 1.041 1 3
    1.036 1 4
    1.036 1 5
    1.030 2 6
    1.030 2 7
SiH3NH2 Silane, amino 1.014 2 6
    1.014 2 7
H2ONH3 Water Ammonia Dimer 1.812 1 3
    1.023 3 5
    1.023 3 6
    1.023 3 7
NH3NH3 Ammonia Dimer 1.026 1 2
    1.026 3 6
    1.022 2 4
    1.022 2 5
BH3NH3 borane ammonia 1.028 2 6
    1.028 2 7
    1.028 2 8
CH3NH3 methyl ammonium radical 1.131 2 6
    1.131 2 7
    1.131 2 8
N2H7+ ammonia ammonium dimer 1.312 1 2
    1.313 1 3
    1.031 2 4
    1.031 2 5
    1.031 2 6
    1.031 3 7
    1.031 3 8
    1.031 3 9
HN3 hydrogen azide 1.037 1 4
HN3+ Hydrazoic acid cation 1.064 1 4
HNNO+ Nitrous oxide, N-protonated 1.032 1 4
HNCS Isothiocyanic acid 0.994 1 4
NHF2 difluoramine 1.047 1 2
NHCl2 dichloroamine 1.049 1 2
HNCNH diiminomethane 1.017 2 4
    1.017 3 5
NH2CN cyanamide 1.013 3 4
    1.013 3 5
HNNNH+ 1,2-Triazadienium 1.041 2 4
    1.041 3 5
NH2NO Nitrosamide 1.021 3 4
    1.012 3 5
CHNHCH 1H-Azirine 1.051 1 4
NCNH3+ Cyanamide, protonated 1.047 3 4
    1.047 3 5
    1.047 3 6
HNCNH2+ diiminomethane, protonated 1.010 2 4
    1.025 3 5
    1.025 3 6
NH3CN+ cyanamide, amine protonated 1.047 2 4
    1.047 2 5
    1.047 2 6
H2CCNH Ethenimine 1.031 3 6
HCCNH2 Ethynamine 1.013 3 5
    1.013 3 6
NH2CNH+ cyanamide, cn protonated 1.025 3 4
    1.025 3 5
    1.010 2 6
CNOH3 1,2-oxaziridine 1.045 2 6
HOCHNH hydroxymethylimine 1.030 3 6
CHSNH2 thioformamide 1.018 3 5
    1.016 3 6
NHCHSH Methanimidothioic acid 1.035 1 4
CH2CHNH vinylazine 1.045 3 7
NH2CHOH+ Formamide, O-protonated 1.024 3 5
    1.024 3 6
NH2CH2OH aminomethanol 1.021 1 4
    1.021 1 5
C2H5NH+ Protonated Aziridine 1.545 1 4
    1.545 1 5
C2H6N+ aziridine, protonated 1.025 1 4
    1.025 1 5
(CH3)2NH2+ dimethylammonium cation 1.035 1 4
    1.035 1 5
CH3CH2NH3+ ethylamine, protonated 1.035 1 4
    1.036 1 5
    1.036 1 6
NF3H+ protonated nitrogen trifluoride 1.405 1 5
HNCCNH Ethenediimine 1.044 3 5
    1.044 4 6
NH2NO2 nitramide 1.018 1 5
    1.018 1 6
NH2COOH Carbamic acid 1.010 3 5
    1.011 3 6
NH2CH2CN Aminoacetonitrile 1.023 1 5
    1.023 1 6
NH2CCNH2 Diaminoacetylene 1.015 3 5
    1.015 3 6
    1.015 4 7
    1.015 4 8
CH3NHN2+ methyl azide, protonated 1.028 2 8
NH2CONH2 Urea 1.010 3 5
    1.011 3 6
    1.010 4 7
    1.011 4 8
NH3COOH+ protonated Carbamic acid 1.036 3 5
    1.038 3 6
    1.038 3 8
NH2COOH2+ Carbamic acid, O-protonated 1.018 3 5
    1.022 3 6
HCONHCH3 N-methylformamide 1.015 3 6
CH5N2O+ urea, N-protonated 1.036 3 5
    1.036 3 6
    1.020 4 7
    1.015 4 8
    1.036 3 9
CH3C(OH)=NH Ethaninidic acid 1.030 3 8
H2NCOHNH2+ urea, protonated 1.017 3 6
    1.018 3 7
    1.019 4 8
    1.015 4 9
CH3CSNH2 Ethanethioamide 1.016 4 8
    1.016 4 9
H2NCHCHNH2 diaminoethylene 1.018 3 7
    1.018 4 8
    1.019 3 9
    1.019 4 10
NH2CH2CH2CH3 1-Propanamine 1.025 4 12
    1.025 4 13
C3H7NH3+ n-propylamine, protonated 1.035 4 12
    1.035 4 13
    1.035 4 14
(CH3)3NH+ protonated trimethyl amine 1.532 1 5
CH2N4 1H-Tetrazole 1.013 2 7
NH3BF3 Amminetrifluoroboron 1.028 1 6
    1.028 1 7
    1.028 1 8
C3H4N2 1H-Imidazole 1.012 1 6
C4H5N Pyrrole 1.011 1 2
CH3SO2NH2 methanesulfonamide 1.032 3 9
    1.032 3 10
C4H6N+ pyrrole, protonated 1.039 1 6
    1.039 1 7
C4H6N+ pyrrole, beta-protonated 1.023 1 6
C4H6N+ pyrrole, alpha-protonated 1.020 1 6
NH(C2H5)2 diethylamine 1.028 1 6
C2H4N2S2 Ethanedithioamide 1.026 5 7
    1.015 5 8
    1.026 6 9
    1.015 6 10
C5H6N+ Pyridinium 1.024 1 7
HCONH2CN2H4 formamide aminomethanimine dimer 1.070 1 2
    1.701 1 3
    1.044 7 8
    1.015 2 9
    1.027 3 11
    1.011 7 13
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.013 3 7
    1.013 4 8
HN=C=C(CN)2 Dicyanoketenimine 1.022 3 8
C5H9NO2 Proline 1.022 5 16
C3H3N3O3 cyanuric acid 1.016 4 10
    1.016 5 11
    1.016 6 12