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	hartrees
Energy at 0K	-57.004400
Energy at 298.15K
HF Energy	-57.004400
Nuclear repulsion energy	15.855468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2857	2839	0.00	100138.30	0.00	0.00
2	E	1480	1471	0.00	5121.14	0.75	0.86
2	E	1480	1471	0.00	5121.14	0.75	0.86
3	T₂	2793	2776	1023.02	9108.36	0.75	0.86
3	T₂	2793	2776	1023.02	9108.36	0.75	0.86
3	T₂	2793	2776	1023.02	9108.36	0.75	0.86
4	T₂	1182	1175	67.46	3187.81	0.75	0.86
4	T₂	1182	1175	67.46	3187.81	0.75	0.86
4	T₂	1182	1175	67.46	3187.81	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	0.000
H2	0.610	0.610	0.610
H3	-0.610	-0.610	0.610
H4	-0.610	0.610	-0.610
H5	0.610	-0.610	-0.610

	N1	H2	H3	H4	H5
N1		1.0571	1.0571	1.0571	1.0571
H2	1.0571		1.7263	1.7263	1.7263
H3	1.0571	1.7263		1.7263	1.7263
H4	1.0571	1.7263	1.7263		1.7263
H5	1.0571	1.7263	1.7263	1.7263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	N1	H3	109.471	H2	N1	H4	109.471
H2	N1	H5	109.471	H3	N1	H4	109.471
H3	N1	H5	109.471	H4	N1	H5	109.471

All results from a given calculation for NH₄ (Ammonium radical)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	0.477
2	H	-0.119
3	H	-0.119
4	H	-0.119
5	H	-0.119

<r²>	14.141
(<r²>)^1/2	3.760

All results from a given calculation for NH4 (Ammonium radical)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₄ (Ammonium radical)