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	hartrees
Energy at 0K	-11.599869
Energy at 298.15K	-11.597625
HF Energy	-11.424166
Nuclear repulsion energy	8.764111

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2492	2374	0.01
2	A₁	892	850	122.97
3	E	2681	2555	0.98
3	E	2681	2555	0.98
4	E	1270	1210	17.76
4	E	1270	1210	17.76

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.144
H2	0.000	0.943	-0.241
H3	0.817	-0.472	-0.241
H4	-0.817	-0.472	-0.241
X5	0.000	0.000	1.144

	N1	H2	H3	H4	X5
N1		1.0187	1.0187	1.0187	1.0000
H2	1.0187		1.6335	1.6335	1.6756
H3	1.0187	1.6335		1.6335	1.6756
H4	1.0187	1.6335	1.6335		1.6756
X5	1.0000	1.6756	1.6756	1.6756

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	N1	H3	106.605	H2	N1	H4	106.605
H2	N1	X5	112.205	H3	N1	H4	106.605
H3	N1	X5	112.205	H4	N1	X5	112.205

All results from a given calculation for ND₃ (Ammonia-d3)

using model chemistry: MP2/CEP-121G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for ND3 (Ammonia-d3)

using model chemistry: MP2/CEP-121G*

States and conformations

All results from a given calculation for ND₃ (Ammonia-d3)