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	hartrees
Energy at 0K	-96.408222
Energy at 298.15K	-96.415373
HF Energy	-96.408222
Nuclear repulsion energy	47.636181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3056	2955	49.40
2	A₁	2959	2861	7.85
3	A₁	1399	1352	18.82
4	A₁	1324	1281	519.59
5	A₁	923	892	51.39
6	A₂	292	282	0.00
7	E	3145	3041	1.53
7	E	3145	3041	1.53
8	E	2840	2747	1305.68
8	E	2840	2747	1306.77
9	E	1488	1439	47.55
9	E	1488	1439	47.73
10	E	1475	1426	13.99
10	E	1475	1426	14.04
11	E	1243	1202	0.02
11	E	1243	1202	0.02
12	E	884	855	73.22
12	E	884	855	73.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.705
H3	0.000	-1.033	-1.133
H4	-0.895	0.516	-1.133
H5	0.895	0.516	-1.133
H6	0.000	0.976	1.081
H7	-0.845	-0.488	1.081
H8	0.845	-0.488	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5011	1.0865	1.0865	1.0865	2.1155	2.1155	2.1155
N2	1.5011		2.1083	2.1083	2.1083	1.0458	1.0458	1.0458
H3	1.0865	2.1083		1.7891	1.7891	2.9893	2.4314	2.4314
H4	1.0865	2.1083	1.7891		1.7891	2.4314	2.4314	2.9893
H5	1.0865	2.1083	1.7891	1.7891		2.4314	2.9893	2.4314
H6	2.1155	1.0458	2.9893	2.4314	2.4314		1.6903	1.6903
H7	2.1155	1.0458	2.4314	2.4314	2.9893	1.6903		1.6903
H8	2.1155	1.0458	2.4314	2.9893	2.4314	1.6903	1.6903

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.062	C1	N2	H7	111.062
C1	N2	H8	111.062	N2	C1	H3	108.055
N2	C1	H4	108.055	N2	C1	H5	108.055
H3	C1	H4	110.849	H3	C1	H5	110.849
H4	C1	H5	110.849	H6	N2	H7	107.834
H6	N2	H8	107.834	H7	N2	H8	107.834

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

using model chemistry: B3LYP/6-311+G(3df,2p)

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	-1.525
2	N	0.347
3	H	0.211
4	H	0.211
5	H	0.211
6	H	0.181
7	H	0.181
8	H	0.181

	x	y	z	Total
	0.000	0.000	-1.309	1.309
CHELPG
AIM
ESP

	x	y	z
x	26.552	0.000	0.000
y	0.000	26.511	0.016
z	0.000	0.016	16.164

<r²>	33.957
(<r²>)^1/2	5.827

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

using model chemistry: B3LYP/6-311+G(3df,2p)

States and conformations

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