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	hartrees
Energy at 0K	-95.687755
Energy at 298.15K	-95.695003
HF Energy	-95.687755
Nuclear repulsion energy	48.033414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	2926	44.67
2	A₁	3112	2815	6.80
3	A₁	1532	1385	21.64
4	A₁	1456	1317	246.37
5	A₁	1026	928	54.64
6	A₂	306	277	0.00
7	E	3326	3008	0.95
7	E	3326	3008	0.95
8	E	2545	2302	11245.72
8	E	2545	2302	11245.72
9	E	1627	1471	0.11
9	E	1627	1471	0.11
10	E	1596	1443	139.46
10	E	1596	1443	139.46
11	E	1347	1218	86.78
11	E	1347	1218	86.78
12	E	941	851	333.65
12	E	941	851	333.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.789
N2	0.000	0.000	0.698
H3	0.000	-1.023	-1.130
H4	-0.886	0.512	-1.130
H5	0.886	0.512	-1.130
H6	0.000	0.964	1.079
H7	-0.835	-0.482	1.079
H8	0.835	-0.482	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4863	1.0785	1.0785	1.0785	2.1015	2.1015	2.1015
N2	1.4863		2.0944	2.0944	2.0944	1.0368	1.0368	1.0368
H3	1.0785	2.0944		1.7721	1.7721	2.9710	2.4223	2.4223
H4	1.0785	2.0944	1.7721		1.7721	2.4223	2.4223	2.9710
H5	1.0785	2.0944	1.7721	1.7721		2.4223	2.9710	2.4223
H6	2.1015	1.0368	2.9710	2.4223	2.4223		1.6702	1.6702
H7	2.1015	1.0368	2.4223	2.4223	2.9710	1.6702		1.6702
H8	2.1015	1.0368	2.4223	2.9710	2.4223	1.6702	1.6702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.554	C1	N2	H7	111.554
C1	N2	H8	111.554	N2	C1	H3	108.447
N2	C1	H4	108.447	N2	C1	H5	108.447
H3	C1	H4	110.476	H3	C1	H5	110.476
H4	C1	H5	110.476	H6	N2	H7	107.310
H6	N2	H8	107.310	H7	N2	H8	107.310

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

using model chemistry: HF/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	-0.384
2	N	-0.544
3	H	0.219
4	H	0.219
5	H	0.219
6	H	0.090
7	H	0.090
8	H	0.090

	x	y	z	Total
	0.000	0.000	-2.046	2.046
CHELPG
AIM
ESP

<r²>	32.033
(<r²>)^1/2	5.660

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

using model chemistry: HF/6-311G*

States and conformations

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