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	hartrees
Energy at 0K	-56.195387
Energy at 298.15K	-56.192991
Nuclear repulsion energy	11.873042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2446	2340	0.02
2	A₁	545	521	180.61
3	E	2658	2543	0.24
3	E	2658	2543	0.24
4	E	1268	1213	11.27
4	E	1268	1213	11.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.092
H2	0.000	0.970	-0.214
H3	0.840	-0.485	-0.214
H4	-0.840	-0.485	-0.214

	N1	H2	H3	H4
N1		1.0169	1.0169	1.0169
H2	1.0169		1.6798	1.6798
H3	1.0169	1.6798		1.6798
H4	1.0169	1.6798	1.6798

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	H3	111.366		H2	N1	H4	111.366
H3	N1	H4	111.366

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

using model chemistry: B1B95/3-21G

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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Number	Element	Mulliken
1	N	-0.812
2	H	0.271
3	H	0.271
4	H	0.271

	x	y	z	Total
	0.000	0.000	-1.815	1.815
CHELPG
AIM
ESP

<r²>	7.203
(<r²>)^1/2	2.684

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

using model chemistry: B1B95/3-21G

States and conformations

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