National Institute of Standards and Technology
Computational Chemistry Comparison and Benchmark DataBase
Release 17bSeptember 2015
NIST Standard Reference Database 101
IIExperimental data
IIICalculated data
IVData comparisons
VCost comparisons
VIInput and output files
VIITutorials and Units
VIIILinks to other sites
XOlder CCCBDB versions
XIII Vibrations
XIVReaction data
XVEntropy data
XVIBibliographic data
XVIIIon data
XVIIIBad calculations
XIXIndex of properties
XXH-bond dimers

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II.A.1. (XV.A.)

Listing of experimental data for ND2 (Amidogen-d2)

Other names
State Conformation
2B1 C2V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation 185.35 8.40 kJ mol-1 JANAF
Hfg(0K) enthalpy of formation 188.28 8.40 kJ mol-1 JANAF
Entropy (298.15K) entropy 204.29   J K-1 mol-1 JANAF
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.98   kJ mol-1 JANAF
Heat Capacity (298.15K) heat capacity 34.42   J K-1 mol-1 JANAF
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment
2 A' 1109 webbook      

Calculated vibrational frequencies for ND2 (Amidogen-d2).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
13.34236 6.48776 4.28997 1997Mor/Ken:428

Calculated rotational constants for ND2 (Amidogen-d2).

Product of moments of inertia moments of inertia
12.90054amu3Å6   5.90712043223762E-119gm3 cm6
Geometric Data
picture of Amidogen-d2

Point Group C2v

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description Value unc. Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4


Atom x (Å) y (Å) z (Å)
N1 0.0000 0.0000 0.0000
H2 0.0000 0.8036 0.6347
H3 0.0000 -0.8036 0.6347

Atom - Atom Distances bond lengths
Distances in Å

  N1 H2 H3
N1   1.02401.0240
H2 1.0240   1.6072
H3 1.02401.6072  

Calculated geometries for ND2 (Amidogen-d2).

Experimental Bond Angles (degrees) from cartesians bond angles

atom1 atom2 atom3 angle
H2 N1 H3 103.400

Bond descriptions

Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
D-N 2


Atom 1 Atom 2
N1 H2
N1 H3
Electronic energy levels (cm-1)
Energy (cm-1) Degeneracy reference description
0 2   2B1

Ionization Energies (eV)

Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. reference
11.450 0.010     webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Calculated electric dipole moments for ND2 (Amidogen-d2).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for ND2 (Amidogen-d2).

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squib reference DOI
1997Mor/Ken:428 Morino, I.; Kawaguchi, K. "Fourier Transform Far-Infrared Spectroscopy of the NH2, NHD, and ND2 Radicals." Journal of Molecular Spectroscopy. 182, 428-438 (1997) 10.1006/jmsp.1996.7221
JANAF Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.  
webbook NIST Chemistry Webbook (  

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