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	hartrees
Energy at 0K	-96.400998
Energy at 298.15K	-96.408138
HF Energy	-96.400998
Nuclear repulsion energy	47.580143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3054	3054	63.03
2	A₁	2910	2910	31.72
3	A₁	1398	1398	20.07
4	A₁	1283	1283	1158.77
5	A₁	914	914	108.12
6	A₂	292	292	0.00
7	E	3148	3148	2.43
7	E	3148	3148	2.38
8	E	2768	2768	2694.17
8	E	2768	2768	2701.15
9	E	1493	1493	70.27
9	E	1493	1493	71.01
10	E	1471	1471	144.85
10	E	1471	1471	143.86
11	E	1244	1244	0.68
11	E	1244	1244	0.73
12	E	872	872	184.74
12	E	872	872	186.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.705
H3	0.000	-1.036	-1.130
H4	-0.897	0.518	-1.130
H5	0.897	0.518	-1.130
H6	0.000	0.977	1.081
H7	-0.846	-0.489	1.081
H8	0.846	-0.489	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5038	1.0876	1.0876	1.0876	2.1184	2.1184	2.1184
N2	1.5038		2.1079	2.1079	2.1079	1.0469	1.0469	1.0469
H3	1.0876	2.1079		1.7939	1.7939	2.9905	2.4304	2.4304
H4	1.0876	2.1079	1.7939		1.7939	2.4304	2.4304	2.9905
H5	1.0876	2.1079	1.7939	1.7939		2.4304	2.9905	2.4304
H6	2.1184	1.0469	2.9905	2.4304	2.4304		1.6926	1.6926
H7	2.1184	1.0469	2.4304	2.4304	2.9905	1.6926		1.6926
H8	2.1184	1.0469	2.4304	2.9905	2.4304	1.6926	1.6926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.031	C1	N2	H7	111.031
C1	N2	H8	111.031	N2	C1	H3	107.777
N2	C1	H4	107.777	N2	C1	H5	107.777
H3	C1	H4	111.111	H3	C1	H5	111.111
H4	C1	H5	111.111	H6	N2	H7	107.868
H6	N2	H8	107.868	H7	N2	H8	107.868

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

using model chemistry: TPSSh/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	-1.298
2	N	0.348
3	H	0.164
4	H	0.164
5	H	0.164
6	H	0.153
7	H	0.153
8	H	0.153

	x	y	z	Total
	0.000	0.000	-1.444	1.444
CHELPG
AIM
ESP

	x	y	z
x	38.028	0.000	0.000
y	0.000	37.803	0.033
z	0.000	0.033	20.899

<r²>	34.049
(<r²>)^1/2	5.835

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

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

States and conformations

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