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	hartrees
Energy at 0K	-96.364980
Energy at 298.15K	-96.372170
HF Energy	-96.364980
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	3084	60.25
2	A₁	2904	2904	0.45
3	A₁	1385	1385	42.55
4	A₁	1286	1286	308.59
5	A₁	951	951	40.09
6	A₂	332	332	0.00
7	E	3181	3181	1.55
7	E	3181	3181	1.55
8	E	2603	2603	4393.00
8	E	2603	2603	4390.52
9	E	1486	1486	0.13
9	E	1486	1486	0.11
10	E	1423	1423	63.63
10	E	1423	1423	64.05
11	E	1226	1226	23.97
11	E	1226	1226	23.73
12	E	878	878	131.83
12	E	878	878	131.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.793
N2	0.000	0.000	0.701
H3	0.000	-1.032	-1.130
H4	-0.894	0.516	-1.130
H5	0.894	0.516	-1.130
H6	0.000	0.980	1.080
H7	-0.849	-0.490	1.080
H8	0.849	-0.490	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4939	1.0857	1.0857	1.0857	2.1140	2.1140	2.1140
N2	1.4939		2.1016	2.1016	2.1016	1.0507	1.0507	1.0507
H3	1.0857	2.1016		1.7878	1.7878	2.9887	2.4287	2.4287
H4	1.0857	2.1016	1.7878		1.7878	2.4287	2.4287	2.9887
H5	1.0857	2.1016	1.7878	1.7878		2.4287	2.9887	2.4287
H6	2.1140	1.0507	2.9887	2.4287	2.4287		1.6970	1.6970
H7	2.1140	1.0507	2.4287	2.4287	2.9887	1.6970		1.6970
H8	2.1140	1.0507	2.4287	2.9887	2.4287	1.6970	1.6970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.165	C1	N2	H7	111.165
C1	N2	H8	111.165	N2	C1	H3	108.074
N2	C1	H4	108.074	N2	C1	H5	108.074
H3	C1	H4	110.832	H3	C1	H5	110.832
H4	C1	H5	110.832	H6	N2	H7	107.726
H6	N2	H8	107.726	H7	N2	H8	107.726

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

using model chemistry: wB97X-D/cc-pVQZ

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	0.229
2	N	0.614
3	H	-0.011
4	H	-0.011
5	H	-0.011
6	H	-0.270
7	H	-0.270
8	H	-0.270

	x	y	z
x	19.991	0.000	0.000
y	0.000	19.977	0.009
z	0.000	0.009	10.570

<r²>	32.735
(<r²>)^1/2	5.721

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

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

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