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	hartrees
Energy at 0K	-96.314638
Energy at 298.15K	-96.321608
HF Energy	-96.314638
Nuclear repulsion energy	47.432696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	3077	34.46
2	A₁	2799	2799	0.73
3	A₁	1375	1375	61.91
4	A₁	1257	1257	176.77
5	A₁	941	941	35.87
6	A₂	297	297	0.00
7	E	3174	3174	1.43
7	E	3174	3174	1.28
8	E	1536	1536	20215.93
8	E	1535	1535	20270.76
9	E	1485	1485	0.33
9	E	1485	1485	1.17
10	E	1381	1381	138.16
10	E	1381	1381	141.80
11	E	1119	1119	4419.73
11	E	1118	1118	4397.59
12	E	690	690	8757.79
12	E	689	689	8845.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.703
H3	0.000	-1.035	-1.131
H4	-0.897	0.518	-1.131
H5	0.897	0.518	-1.131
H6	0.000	0.993	1.082
H7	-0.860	-0.496	1.082
H8	0.860	-0.496	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4997	1.0881	1.0881	1.0881	2.1248	2.1248	2.1248
N2	1.4997		2.1063	2.1063	2.1063	1.0626	1.0626	1.0626
H3	1.0881	2.1063		1.7933	1.7933	3.0019	2.4347	2.4347
H4	1.0881	2.1063	1.7933		1.7933	2.4347	2.4347	3.0019
H5	1.0881	2.1063	1.7933	1.7933		2.4347	3.0019	2.4347
H6	2.1248	1.0626	3.0019	2.4347	2.4347		1.7194	1.7194
H7	2.1248	1.0626	2.4347	2.4347	3.0019	1.7194		1.7194
H8	2.1248	1.0626	2.4347	3.0019	2.4347	1.7194	1.7194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.895	C1	N2	H7	110.895
C1	N2	H8	110.895	N2	C1	H3	107.906
N2	C1	H4	107.906	N2	C1	H5	107.906
H3	C1	H4	110.990	H3	C1	H5	110.990
H4	C1	H5	110.990	H6	N2	H7	108.010
H6	N2	H8	108.010	H7	N2	H8	108.010

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

using model chemistry: M06-2X/6-311G**

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	-0.237
2	N	-0.148
3	H	0.145
4	H	0.145
5	H	0.145
6	H	-0.017
7	H	-0.017
8	H	-0.017

	x	y	z
x	28.900	0.000	0.000
y	0.000	28.946	-0.020
z	0.000	-0.020	7.531

<r²>	32.291
(<r²>)^1/2	5.683

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

using model chemistry: M06-2X/6-311G**

States and conformations

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