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Compare Calculated Bonds for N-H

17 01 10 14 40

LSDA/STO-3G

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


Values greater than 1.60 are in the 1.60 bin. Values less than 1.00 are in the 1.00 bin.

histogram chart 160 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 line line line
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histogram chart 60 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 line line line
histogram chart 40 line line line line histogram chart 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 20 line line line line histogram chart 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 line 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
1.00 1.05 1.10 1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.081 0.070

  Species Name Bond Length (Å)
Lowest value HBNH Boranimine 1.033
Highest value (CH3)3NH+ protonated trimethyl amine 1.529

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
NH- Imidogen anion 1.156 1 2
NH Imidogen 1.121 1 2
NH+ imidogen cation 1.186 1 2
NH2- amino anion 1.116 1 2
    1.116 1 3
NH2 Amino radical 1.096 1 2
    1.096 1 3
NH2+ Amino cation 1.105 1 2
    1.105 1 3
ND2 Amidogen-d2 1.096 1 2
    1.096 1 3
NH3- Ammonia anion 1.316 1 2
    1.316 1 3
    1.316 1 4
NH3 Ammonia 1.064 1 2
    1.064 1 3
    1.064 1 4
NH3+ ammonia cation 1.077 1 2
    1.077 1 3
    1.077 1 4
ND3 Ammonia-d3 1.064 1 2
    1.064 1 3
    1.064 1 4
NH4+ ammonium cation 1.064 1 2
    1.064 1 3
    1.064 1 4
    1.064 1 5
HNC hydrogen isocyanide 1.043 2 3
NNH Dinitrogen monohydride 1.108 2 3
NNH+ Dinitrogen monohydride cation 1.107 2 3
HNB hydrogen nitrogen boron 1.034 1 3
HNO Nitrosyl hydride 1.146 1 2
HNO+ Nitrosyl hydride cation 1.145 1 2
HNS- Sulfur imide anion 1.116 2 3
CNH2 Aminomethylidyne radical 1.065 2 3
    1.065 2 4
CNH2+ N-protonated hydrogen isocyanide 1.080 2 3
    1.080 2 4
HBNH Boranimine 1.033 2 4
N2H2 (Z)-Diazene 1.106 1 3
    1.106 2 4
N2H2 (E)-diazene 1.100 1 3
    1.100 2 4
N2H2+ trans-diazene cation 1.109 1 3
    1.109 2 4
HCNH methyleneazane 1.074 2 4
HCNH+ N-protonated HCN 1.073 2 4
H2NO nitroxide 1.071 1 3
    1.071 1 4
NH2F monofluoroamine 1.091 1 3
    1.091 1 4
CH2NH Methanimine 1.082 2 5
NH2OH hydroxylamine 1.081 1 4
    1.081 1 5
NH3O Ammonia Oxide 1.138 1 3
    1.138 1 4
    1.138 1 5
CH2NH2+ methyleneamine cation 1.064 2 5
    1.064 2 6
N2H5+ protonated hydrazine 1.078 1 3
    1.069 1 4
    1.069 1 5
    1.078 2 6
    1.078 2 7
BH3NH3 borane ammonia 1.057 2 6
    1.057 2 7
    1.057 2 8
CH3NH3 methyl ammonium radical 1.059 2 6
    1.059 2 7
    1.059 2 8
CH3NH3+ protonated methylamine 1.066 2 6
    1.066 2 7
    1.066 2 8
HN3 hydrogen azide 1.082 1 4
HNNO+ Nitrous oxide, N-protonated 1.102 1 4
HNCNH diiminomethane 1.064 2 4
    1.064 3 5
NH2CN cyanamide 1.038 3 4
    1.038 3 5
NH2NO Nitrosamide 1.060 3 4
    1.054 3 5
NCNH3+ Cyanamide, protonated 1.076 3 4
    1.076 3 5
    1.076 3 6
HNCNH2+ diiminomethane, protonated 1.068 2 4
    1.058 3 5
    1.058 3 6
H2CCNH Ethenimine 1.075 3 6
HCCNH2 Ethynamine 1.050 3 5
    1.050 3 6
CNOH3 1,2-oxaziridine 1.099 2 6
HOCHNH hydroxymethylimine 1.072 3 6
CH2CHNH vinylazine 1.088 3 7
H2CONH2+ protonated formamide 1.054 3 5
    1.054 3 6
CH2CHNH2 aminoethene 1.048 3 7
    1.047 3 8
CH3CHNH ethanimine 1.083 3 8
NH2CH2NH2 diaminomethane 1.064 2 6
    1.064 2 7
    1.064 3 8
    1.064 3 9
C2H5NH+ Protonated Aziridine 1.526 1 4
    1.526 1 5
C2H6N+ aziridine, protonated 1.060 1 4
    1.060 1 5
(CH3)2NH2+ dimethylammonium cation 1.067 1 4
    1.067 1 5
CH3CH2NH3+ ethylamine, protonated 1.065 1 4
    1.065 1 5
    1.065 1 6
NF3H+ protonated nitrogen trifluoride 1.417 1 5
NH2NO2 nitramide 1.072 1 5
    1.072 1 6
NH2COOH Carbamic acid 1.045 3 5
    1.046 3 6
NH2CH2CN Aminoacetonitrile 1.063 1 5
    1.063 1 6
NH2CCNH2 Diaminoacetylene 1.052 3 5
    1.052 3 6
    1.052 4 7
    1.052 4 8
CH3NHN2+ methyl azide, protonated 1.067 2 8
NH3COOH+ protonated Carbamic acid 1.064 3 5
    1.064 3 6
    1.064 3 8
NH2COOH2+ Carbamic acid, O-protonated 1.047 3 5
    1.049 3 6
CH5N2O+ urea, N-protonated 1.062 3 5
    1.063 3 6
    1.063 3 9
    1.046 4 7
    1.044 4 8
H2NCOHNH2+ urea, protonated 1.045 3 6
    1.045 3 7
    1.046 4 8
    1.044 4 9
CH6N3+ guanidinium 1.042 2 5
    1.042 2 6
    1.042 3 7
    1.042 3 8
    1.042 4 9
    1.042 4 10
C3H7N Cyclopropylamine 1.062 3 6
    1.062 3 7
CH7N3 triaminomethane 1.063 3 6
    1.066 3 9
    1.063 4 7
    1.066 4 10
    1.063 5 8
    1.066 5 11
CH3NHNHCH3 dimethyl hydrazine 1.067 1 5
    1.067 2 6
C3H7NH3+ n-propylamine, protonated 1.065 4 12
    1.065 4 13
    1.065 4 14
(CH3)3NH+ protonated trimethyl amine 1.529 1 5
NH3BF3 Amminetrifluoroboron 1.055 1 6
    1.055 1 7
    1.055 1 8
CH3SO2NH2 methanesulfonamide 1.082 3 9
    1.082 3 10
C4H6N+ pyrrole, protonated 1.072 1 6
    1.072 1 7
C4H6N+ pyrrole, beta-protonated 1.061 1 6
C4H6N+ pyrrole, alpha-protonated 1.057 1 6
C2H6N2O Urea, methyl- 1.046 5 6
    1.050 8 10
    1.049 9 10
C4H9N Cyclobutylamine 1.064 1 2
    1.064 1 3
CH3C(NH2)HCH2CH3 2-Butanamine 1.063 1 2
    1.063 1 3
CH3N5 5-Aminotetrazole 1.051 2 3
    1.049 7 9
    1.048 8 9
C2H3NO3 Oxamic acid 1.042 6 7
    1.044 6 8
C2H4N4 1H-Tetrazole, 5-methyl- 1.053 7 10
C2H4N2O2 Oxalamide 1.045 5 7
    1.218 5 8
    1.045 6 9
    1.218 6 10
C4H6N2 1H-Imidazole, 2-methyl- 1.047 5 6
B3N3H6 borazine 1.045 1 7
    1.045 2 8
    1.045 3 9
C5H6N+ Pyridinium 1.059 1 7
CH6N4S Carbonothioic dihydrazide 1.105 3 11
    1.070 4 9
    1.075 4 10
    1.065 5 12
    1.064 6 7
    1.062 6 8
C4H7NO 2-Pyrrolidinone 1.044 1 7
N(CH3)2CONH2 Urea, N,N-dimethyl- 1.052 1 6
    1.053 5 6
NH2CONHC2H5 Urea, ethyl- 1.048 8 9
    1.053 10 11
    1.053 10 12
C5H9N 1,2,3,6-Tetrahydropyridine 1.064 14 15
C4H9NO Butanamide 1.042 11 12
    1.042 11 13
C4H9NO Propanamide, 2-methyl- 1.043 10 11
    1.043 10 12
C5H11N Cyclopentanamine 1.064 1 4
    1.064 1 5
C4H12N2 2-Methyl-1,2-propanediamine 1.063 4 5
    1.063 4 6
    1.065 7 8
    1.065 7 9
C4H12N2 1,2-Butanediamine 1.091 1 2
    1.063 1 3
    1.058 8 9
    1.057 8 10
C5H5NO 4(1H)-Pryidinone 1.044 1 12
C5H5NO 2(1H)-Pyridinone 1.050 1 12