return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Calculated > Geometry > Calculated geometry > One type of bond

Compare Calculated Bonds for N-H

17 01 10 14 40

QCISD/aug-cc-pVTZ

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 250 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 200 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 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 line line line histogram chart line line line line line line line line histogram chart line line line line line line line line histogram chart 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
1.023 0.070

  Species Name Bond Length (Å)
Lowest value HBNH Boranimine 0.991
Highest value NH4Cl Ammonium chloride 1.852

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH2 Amino radical 1.025 1 2
    1.025 1 3
NH2+ Amino cation 1.031 1 2
    1.031 1 3
NH3- Ammonia anion 1.018 1 2
    1.018 1 3
    1.018 1 4
NH3 Ammonia 1.014 1 2
    1.014 1 3
    1.014 1 4
NH3+ ammonia cation 1.022 1 2
    1.022 1 3
    1.022 1 4
NH4 Ammonium radical 1.038 1 2
    1.038 1 3
    1.038 1 4
    1.038 1 5
NH4+ ammonium cation 1.022 1 2
    1.022 1 3
    1.022 1 4
    1.022 1 5
HNC hydrogen isocyanide 0.992 2 3
HNC+ hydrogen isocyanide cation 1.017 2 3
NNH+ Dinitrogen monohydride cation 1.033 2 3
HNO Nitrosyl hydride 1.052 1 2
HNO+ Nitrosyl hydride cation 1.066 1 2
HNS- Sulfur imide anion 1.024 2 3
LiNH2 lithium amide 1.014 2 3
    1.014 2 4
CNH2 Aminomethylidyne radical 1.016 2 3
    1.016 2 4
CNH2+ N-protonated hydrogen isocyanide 1.031 2 3
    1.031 2 4
HBNH Boranimine 0.991 2 4
N2H2 (Z)-Diazene 1.033 1 3
    1.033 2 4
N2H2 (E)-diazene 1.029 1 3
    1.029 2 4
N2H2+ trans-diazene cation 1.038 1 3
    1.038 2 4
H2NN Isodiazene 1.032 1 3
    1.032 1 4
HCNH methyleneazane 1.017 2 4
HCNH+ N-protonated HCN 1.013 2 4
NH2Cl chloramine 1.015 1 3
    1.015 1 4
CH2NH Methanimine 1.019 2 5
CH2NH+ Methanimine cation 1.019 2 5
CHNH2 aminomethylene 1.013 2 4
    1.008 2 5
NH2OH hydroxylamine 1.014 1 4
    1.014 1 5
NH2OH+ Hydroxylamine cation 1.018 1 4
    1.017 1 5
NH3O Ammonia Oxide 1.024 1 3
    1.024 1 4
    1.024 1 5
NH2SH Thiohydroxylamine 1.010 1 4
    1.010 1 5
NH3S sulfidoazane 1.014 1 3
    1.014 1 4
    1.014 1 5
N2H4 Hydrazine 1.013 1 3
    1.013 2 4
    1.010 1 5
    1.010 2 6
N2H4+ hydrazine cation 1.011 1 3
    1.011 2 4
    1.011 1 5
    1.011 2 6
CH2NH2+ methyleneamine cation 1.015 2 5
    1.015 2 6
BH2NH2 Boranamine 1.004 2 5
    1.004 2 6
NH3OH+ N-protonated hydroxylamine 1.024 1 4
    1.025 1 5
    1.025 1 6
NH2OH2+ protonated hydroxylamine 1.020 1 3
    1.020 1 4
NH4Cl Ammonium chloride 1.013 1 3
    1.013 1 4
    1.013 1 5
    1.852 1 6
CH3NH2 methyl amine 1.011 2 6
    1.011 2 7
CH3NH2+ methyl amine cation 1.019 2 6
    1.019 2 7
N2H5+ protonated hydrazine 1.025 1 3
    1.022 1 4
    1.022 1 5
    1.016 2 6
    1.016 2 7
SiH3NH2 Silane, amino 1.007 2 6
    1.007 2 7
NH3NH3 Ammonia Dimer 1.013 3 6
    1.015 1 2
    1.013 2 4
    1.013 2 5
BH3NH3 borane ammonia 1.014 2 6
    1.014 2 7
    1.014 2 8
N2H7+ ammonia ammonium dimer 1.098 1 2
    1.632 1 3
    1.018 2 4
    1.018 2 5
    1.018 2 6
    1.016 3 7
    1.016 3 8
    1.016 3 9
HN3 hydrogen azide 1.016 1 4
HN3+ Hydrazoic acid cation 1.038 1 4
HNNO+ Nitrous oxide, N-protonated 1.027 1 4
HNCS Isothiocyanic acid 1.003 1 4
NHF2 difluoramine 1.024 1 2
NHCl2 dichloroamine 1.018 1 2
HNCNH diiminomethane 1.010 2 4
    1.010 3 5
NH2CN cyanamide 1.000 3 4
    1.000 3 5
HNNNH+ 1,2-Triazadienium 1.029 2 4
    1.029 3 5
NH2NO Nitrosamide 1.011 3 4
    1.003 3 5
CHNHCH 1H-Azirine 1.021 1 4
NCNH3+ Cyanamide, protonated 1.029 3 4
    1.029 3 5
    1.029 3 6
HNCNH2+ diiminomethane, protonated 1.007 2 4
    1.011 3 5
    1.011 3 6
NH3CN+ cyanamide, amine protonated 1.029 2 4
    1.029 2 5
    1.029 2 6
H2CCNH Ethenimine 1.016 3 6
HCCNH2 Ethynamine 1.009 3 5
    1.009 3 6
NH2CNH+ cyanamide, cn protonated 1.010 3 4
    1.010 3 5
    1.005 2 6
CHONH2 formamide 1.004 3 5
    1.002 3 6
CNOH3 1,2-oxaziridine 1.020 2 6
HOCHNH hydroxymethylimine 1.014 3 6
CHSNH2 thioformamide 1.005 3 5
    1.003 3 6
NHCHSH Methanimidothioic acid 1.018 1 4
CH2CHNH vinylazine 1.019 3 7
H2CONH2+ protonated formamide 1.012 3 5
    1.011 3 6
NH2CHOH+ Formamide, O-protonated 1.012 3 5
    1.011 3 6
CH3CHNH ethanimine 1.021 3 8
NH2CH2OH aminomethanol 1.012 1 4
    1.012 1 5
NH2CH2NH2 diaminomethane 1.013 2 6
    1.013 2 7
    1.013 3 8
    1.013 3 9
C2H6N+ aziridine, protonated 1.013 1 4
    1.013 1 5
CH3CH2NH2 Ethylamine 1.013 1 9
    1.013 1 10
CH3NHCH3 Dimethylamine 1.010 1 2
(CH3)2NH2+ dimethylammonium cation 1.020 1 4
    1.020 1 5
CH3CH2NH3+ ethylamine, protonated 1.021 1 4
    1.021 1 5
    1.021 1 6
NF3H+ protonated nitrogen trifluoride 1.314 1 5
HNCCNH Ethenediimine 1.021 3 5
    1.021 4 6
NH2NO2 nitramide 1.010 1 5
    1.010 1 6
NH2COOH Carbamic acid 1.002 3 5
    1.002 3 6
NH2CH2CN Aminoacetonitrile 1.012 1 5
    1.012 1 6
NH2CCNH2 Diaminoacetylene 1.007 3 5
    1.007 3 6
    1.007 4 7
    1.007 4 8
CH3NHN2+ methyl azide, protonated 1.013 2 8
NH2CONH2 Urea 1.005 3 5
    1.005 3 6
    1.005 4 7
    1.005 4 8
NH3COOH+ protonated Carbamic acid 1.023 3 5
    1.024 3 6
    1.024 3 8
NH2COOH2+ Carbamic acid, O-protonated 1.007 3 5
    1.010 3 6
CH5N3 Guanidine 1.015 2 5
    1.007 3 6
    1.008 3 7
    1.008 4 8
    1.008 4 9
CH3CONH2 Acetamide 1.004 3 8
    1.002 3 9
CH5N2O+ urea, N-protonated 1.023 3 5
    1.022 3 6
    1.008 4 7
    1.004 4 8
    1.022 3 9
CH3C(OH)=NH Ethaninidic acid 1.014 3 8
H2NCOHNH2+ urea, protonated 1.006 3 6
    1.006 3 7
    1.007 4 8
    1.005 4 9
CH3CSNH2 Ethanethioamide 1.003 4 8
    1.004 4 9
H2NCHCHNH2 diaminoethylene 1.011 3 7
    1.011 4 8
    1.011 3 9
    1.011 4 10
CH6N3+ guanidinium 1.004 2 5
    1.004 2 6
    1.004 3 7
    1.004 3 8
    1.004 4 9
    1.004 4 10
C3H7N Cyclopropylamine 1.010 3 6
    1.010 3 7
HOCH2CH2NH2 monoethanolamine 1.013 1 5
    1.011 1 6
CH3CH(NH2)CH3 2-Propanamine 1.013 2 6
    1.013 2 7
NH2CH2CH2CH3 1-Propanamine 1.014 4 12
    1.014 4 13
NH3BF3 Amminetrifluoroboron 1.014 1 6
    1.014 1 7
    1.014 1 8
C3H4N2 1H-Imidazole 1.002 1 6
C4H5N Pyrrole 1.001 1 2
C4H6N+ pyrrole, protonated 1.024 1 6
    1.024 1 7
NH(C2H5)2 diethylamine 1.014 1 6
C5H6N+ Pyridinium 1.012 1 7
NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- 1.006 3 7
    1.006 4 8
HN=C=C(CN)2 Dicyanoketenimine 1.014 3 8
C3H3N3O3 cyanuric acid 1.007 4 10
    1.007 5 11
    1.007 6 12