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	hartrees
Energy at 0K	-56.150852
Energy at 298.15K	-56.148472
Nuclear repulsion energy	11.703809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2332	2224	0.98
2	A₁	579	552	114.67
3	E	2531	2413	0.61
3	E	2531	2413	0.61
4	E	1245	1187	7.61
4	E	1245	1187	7.61

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.106
H2	0.000	0.971	-0.247
H3	0.841	-0.485	-0.247
H4	-0.841	-0.485	-0.247

	N1	H2	H3	H4
N1		1.0328	1.0328	1.0328
H2	1.0328		1.6813	1.6813
H3	1.0328	1.6813		1.6813
H4	1.0328	1.6813	1.6813

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	N1	H3	108.967		H2	N1	H4	108.967
H3	N1	H4	108.967

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

using model chemistry: PBEPBE/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	-0.774
2	H	0.258
3	H	0.258
4	H	0.258

	x	y	z	Total
	0.000	0.000	-1.959	1.959
CHELPG
AIM
ESP

<r²>	7.347
(<r²>)^1/2	2.711

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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