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	hartrees
Energy at 0K	-96.203457
Energy at 298.15K
HF Energy	-96.203457
Nuclear repulsion energy	46.663901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2977	2947	76.55
2	A₁	2394	2369	106.50
3	A₁	1242	1230	149.85
4	A₁	1068	1057	5.84
5	A₁	804	796	18.73
6	A₂	259	256	0.00
7	E	3080	3049	18.82
7	E	3080	3049	18.82
8	E	1618	1601	1846.34
8	E	1618	1601	1846.61
9	E	1402	1388	67.89
9	E	1402	1388	67.88
10	E	1163	1151	21.42
10	E	1163	1151	21.42
11	E	826	817	39.64
11	E	826	817	39.64
12	E	159i	157i	2011.29
12	E	159i	157i	2010.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.800
N2	0.000	0.000	0.717
H3	0.000	-1.050	-1.125
H4	-0.909	0.525	-1.125
H5	0.909	0.525	-1.125
H6	0.000	1.054	1.050
H7	-0.913	-0.527	1.050
H8	0.913	-0.527	1.050

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5171	1.0995	1.0995	1.0995	2.1291	2.1291	2.1291
N2	1.5171		2.1210	2.1210	2.1210	1.1050	1.1050	1.1050
H3	1.0995	2.1210		1.8190	1.8190	3.0266	2.4167	2.4167
H4	1.0995	2.1210	1.8190		1.8190	2.4167	2.4167	3.0266
H5	1.0995	2.1210	1.8190	1.8190		2.4167	3.0266	2.4167
H6	2.1291	1.1050	3.0266	2.4167	2.4167		1.8250	1.8250
H7	2.1291	1.1050	2.4167	2.4167	3.0266	1.8250		1.8250
H8	2.1291	1.1050	2.4167	3.0266	2.4167	1.8250	1.8250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.540	C1	N2	H7	107.540
C1	N2	H8	107.540	N2	C1	H3	107.231
N2	C1	H4	107.231	N2	C1	H5	107.231
H3	C1	H4	111.616	H3	C1	H5	111.616
H4	C1	H5	111.616	H6	N2	H7	111.332
H6	N2	H8	111.332	H7	N2	H8	111.332

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

using model chemistry: PBEPBE/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	-0.342
2	N	-0.110
3	H	0.130
4	H	0.130
5	H	0.130
6	H	0.021
7	H	0.021
8	H	0.021

	x	y	z	Total
	0.000	0.000	-0.803	0.803
CHELPG
AIM
ESP

<r²>	31.601
(<r²>)^1/2	5.622

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

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

States and conformations

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