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	hartrees
Energy at 0K	-96.219173
Energy at 298.15K
HF Energy	-96.219173
Nuclear repulsion energy	47.197530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3065	2936	64.44
2	A₁	2528	2421	94.24
3	A₁	1310	1254	130.49
4	A₁	1126	1078	10.04
5	A₁	880	842	33.06
6	A₂	278	266	0.00
7	E	3170	3036	13.81
7	E	3170	3036	13.82
8	E	1634	1565	2345.06
8	E	1634	1565	2345.85
9	E	1457	1395	103.65
9	E	1457	1395	103.57
10	E	1220	1168	9.64
10	E	1220	1168	9.63
11	E	857	821	13.40
11	E	857	821	13.40
12	E	136i	130i	3000.26
12	E	136i	130i	3001.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.789
N2	0.000	0.000	0.708
H3	0.000	-1.040	-1.120
H4	-0.901	0.520	-1.120
H5	0.901	0.520	-1.120
H6	0.000	1.035	1.046
H7	-0.897	-0.518	1.046
H8	0.897	-0.518	1.046

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4972	1.0915	1.0915	1.0915	2.1067	2.1067	2.1067
N2	1.4972		2.1033	2.1033	2.1033	1.0891	1.0891	1.0891
H3	1.0915	2.1033		1.8016	1.8016	2.9997	2.4014	2.4014
H4	1.0915	2.1033	1.8016		1.8016	2.4014	2.4014	2.9997
H5	1.0915	2.1033	1.8016	1.8016		2.4014	2.9997	2.4014
H6	2.1067	1.0891	2.9997	2.4014	2.4014		1.7935	1.7935
H7	2.1067	1.0891	2.4014	2.4014	2.9997	1.7935		1.7935
H8	2.1067	1.0891	2.4014	2.9997	2.4014	1.7935	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.053	C1	N2	H7	108.053
C1	N2	H8	108.053	N2	C1	H3	107.647
N2	C1	H4	107.647	N2	C1	H5	107.647
H3	C1	H4	111.232	H3	C1	H5	111.232
H4	C1	H5	111.232	H6	N2	H7	110.851
H6	N2	H8	110.851	H7	N2	H8	110.851

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	C	-0.364
2	N	-0.141
3	H	0.144
4	H	0.144
5	H	0.144
6	H	0.024
7	H	0.024
8	H	0.024

	x	y	z	Total
	0.000	0.000	-0.909	0.909
CHELPG
AIM
ESP

<r²>	31.168
(<r²>)^1/2	5.583

All results from a given calculation for CH3NH3 (methyl ammonium radical)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃NH₃ (methyl ammonium radical)