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	hartrees
Energy at 0K	-96.185206
Energy at 298.15K	-96.192046
HF Energy	-96.185206
Nuclear repulsion energy	46.766141

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3097	2963	48.35
2	A₁	2511	2402	85.14
3	A₁	1364	1304	138.11
4	A₁	1162	1112	28.12
5	A₁	835	798	8.56
6	A₂	257	246	0.00
7	E	3209	3069	16.08
7	E	3209	3069	16.09
8	E	1621	1551	2675.03
8	E	1621	1551	2676.07
9	E	1513	1447	101.59
9	E	1513	1447	101.53
10	E	1227	1174	0.21
10	E	1227	1174	0.21
11	E	907	868	382.79
11	E	907	868	382.58
12	E	761	728	1933.71
12	E	761	728	1934.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.805
N2	0.000	0.000	0.716
H3	0.000	-1.038	-1.138
H4	-0.899	0.519	-1.138
H5	0.899	0.519	-1.138
H6	0.000	1.033	1.076
H7	-0.894	-0.516	1.076
H8	0.894	-0.516	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5213	1.0905	1.0905	1.0905	2.1459	2.1459	2.1459
N2	1.5213		2.1255	2.1255	2.1255	1.0935	1.0935	1.0935
H3	1.0905	2.1255		1.7984	1.7984	3.0320	2.4447	2.4447
H4	1.0905	2.1255	1.7984		1.7984	2.4447	2.4447	3.0320
H5	1.0905	2.1255	1.7984	1.7984		2.4447	3.0320	2.4447
H6	2.1459	1.0935	3.0320	2.4447	2.4447		1.7885	1.7885
H7	2.1459	1.0935	2.4447	2.4447	3.0320	1.7885		1.7885
H8	2.1459	1.0935	2.4447	3.0320	2.4447	1.7885	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.213	C1	N2	H7	109.213
C1	N2	H8	109.213	N2	C1	H3	107.800
N2	C1	H4	107.800	N2	C1	H5	107.800
H3	C1	H4	111.089	H3	C1	H5	111.089
H4	C1	H5	111.089	H6	N2	H7	109.728
H6	N2	H8	109.728	H7	N2	H8	109.728

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

using model chemistry: HSEh1PBE/6-31G

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	-0.372
2	N	-0.448
3	H	0.178
4	H	0.178
5	H	0.178
6	H	0.095
7	H	0.095
8	H	0.095

	x	y	z	Total
	0.000	0.000	-1.059	1.059
CHELPG
AIM
ESP

<r²>	31.758
(<r²>)^1/2	5.635

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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