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	hartrees
Energy at 0K	-95.666292
Energy at 298.15K
HF Energy	-95.666292
Nuclear repulsion energy	45.430838

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3000	2973	37.90
2	A₁	2189	2169	132.11
3	A₁	1236	1225	198.63
4	A₁	1022	1013	1.68
5	A₁	593	588	10.80
6	A₂	241	238	0.00
7	E	3104	3076	20.66
7	E	3104	3076	20.66
8	E	1476	1463	49.41
8	E	1476	1463	49.41
9	E	1406	1394	804.74
9	E	1406	1394	804.74
10	E	1096	1087	16.74
10	E	1096	1087	16.74
11	E	801	793	20.75
11	E	801	793	20.75
12	E	805i	797i	2501.75
12	E	805i	797i	2501.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.833
N2	0.000	0.000	0.743
H3	0.000	-1.054	-1.145
H4	-0.913	0.527	-1.145
H5	0.913	0.527	-1.145
H6	0.000	1.096	1.077
H7	-0.949	-0.548	1.077
H8	0.949	-0.548	1.077

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5765	1.0993	1.0993	1.0993	2.2020	2.2020	2.2020
N2	1.5765		2.1631	2.1631	2.1631	1.1456	1.1456	1.1456
H3	1.0993	2.1631		1.8256	1.8256	3.0921	2.4689	2.4689
H4	1.0993	2.1631	1.8256		1.8256	2.4689	2.4689	3.0921
H5	1.0993	2.1631	1.8256	1.8256		2.4689	3.0921	2.4689
H6	2.2020	1.1456	3.0921	2.4689	2.4689		1.8985	1.8985
H7	2.2020	1.1456	2.4689	2.4689	3.0921	1.8985		1.8985
H8	2.2020	1.1456	2.4689	3.0921	2.4689	1.8985	1.8985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	106.916	C1	N2	H7	106.916
C1	N2	H8	106.916	N2	C1	H3	106.509
N2	C1	H4	106.509	N2	C1	H5	106.509
H3	C1	H4	112.264	H3	C1	H5	112.264
H4	C1	H5	112.264	H6	N2	H7	111.902
H6	N2	H8	111.902	H7	N2	H8	111.901

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

using model chemistry: PBEPBEultrafine/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	C	-0.516
2	N	-0.462
3	H	0.215
4	H	0.215
5	H	0.215
6	H	0.111
7	H	0.111
8	H	0.111

<r²>	32.452
(<r²>)^1/2	5.697

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

using model chemistry: PBEPBEultrafine/3-21G

States and conformations

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