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	hartrees
Energy at 0K	-56.539253
Energy at 298.15K	-56.536952
Nuclear repulsion energy	11.802339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2405	2392	1.39
2	A₁	756	752	125.60
3	E	2582	2568	2.11
3	E	2582	2568	2.11
4	E	1189	1182	15.57
4	E	1189	1182	15.57

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.112
H2	0.000	0.954	-0.262
H3	0.826	-0.477	-0.262
H4	-0.826	-0.477	-0.262
X5	0.000	0.000	1.112

	N1	H2	H3	H4	X5
N1		1.0250	1.0250	1.0250	1.0000
H2	1.0250		1.6528	1.6528	1.6731
H3	1.0250	1.6528		1.6528	1.6731
H4	1.0250	1.6528	1.6528		1.6731
X5	1.0000	1.6731	1.6731	1.6731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	N1	H3	107.458	H2	N1	H4	107.458
H2	N1	X5	111.416	H3	N1	H4	107.458
H3	N1	X5	111.416	H4	N1	X5	111.416

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

using model chemistry: BLYP/6-31+G**

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	-0.866
2	H	0.289
3	H	0.289
4	H	0.289

	x	y	z	Total
	0.000	0.000	-1.758	1.758
CHELPG
AIM
ESP

<r²>	7.796
(<r²>)^1/2	2.792

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

using model chemistry: BLYP/6-31+G**

States and conformations

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