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	hartrees
Energy at 0K	-56.219025
Energy at 298.15K	-56.215121
Nuclear repulsion energy	12.107637

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.106
H2	0.000	0.934	-0.248
H3	0.809	-0.467	-0.248
H4	-0.809	-0.467	-0.248
X5	0.000	0.000	1.106

	N1	H2	H3	H4	X5
N1		0.9988	0.9988	0.9988	1.0000
H2	0.9988		1.6172	1.6172	1.6453
H3	0.9988	1.6172		1.6172	1.6453
H4	0.9988	1.6172	1.6172		1.6453
X5	1.0000	1.6453	1.6453	1.6453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	N1	H3	108.108	H2	N1	H4	108.108
H2	N1	X5	110.802	H3	N1	H4	108.108
H3	N1	X5	110.802	H4	N1	X5	110.802

Number	Element	Mulliken
1	N	-0.482
2	H	0.161
3	H	0.161
4	H	0.161

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

using model chemistry: HF/6-311+G(3df,2p)

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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<r²>	7.384
(<r²>)^1/2	2.717

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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