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	hartrees
Energy at 0K	-96.336488
Energy at 298.15K	-96.342991
HF Energy	-96.336488
Nuclear repulsion energy	46.852823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	2946	57.27
2	A₁	2480	2383	96.66
3	A₁	1316	1264	127.09
4	A₁	1122	1078	12.44
5	A₁	804	773	20.25
6	A₂	272	261	0.00
7	E	3162	3038	17.71
7	E	3162	3038	17.71
8	E	1649	1584	2083.13
8	E	1649	1584	2083.32
9	E	1478	1420	83.29
9	E	1478	1420	83.27
10	E	1210	1163	5.84
10	E	1210	1163	5.84
11	E	856	822	17.18
11	E	856	822	17.18
12	E	489	470	2188.39
12	E	489	470	2188.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.801
N2	0.000	0.000	0.715
H3	0.000	-1.040	-1.131
H4	-0.900	0.520	-1.131
H5	0.900	0.520	-1.131
H6	0.000	1.038	1.064
H7	-0.899	-0.519	1.064
H8	0.899	-0.519	1.064

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5160	1.0908	1.0908	1.0908	2.1337	2.1337	2.1337
N2	1.5160		2.1187	2.1187	2.1187	1.0945	1.0945	1.0945
H3	1.0908	2.1187		1.8007	1.8007	3.0217	2.4279	2.4279
H4	1.0908	2.1187	1.8007		1.8007	2.4279	2.4279	3.0217
H5	1.0908	2.1187	1.8007	1.8007		2.4279	3.0217	2.4279
H6	2.1337	1.0945	3.0217	2.4279	2.4279		1.7971	1.7971
H7	2.1337	1.0945	2.4279	2.4279	3.0217	1.7971		1.7971
H8	2.1337	1.0945	2.4279	3.0217	2.4279	1.7971	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.564	C1	N2	H7	108.564
C1	N2	H8	108.564	N2	C1	H3	107.614
N2	C1	H4	107.614	N2	C1	H5	107.614
H3	C1	H4	111.263	H3	C1	H5	111.263
H4	C1	H5	111.263	H6	N2	H7	110.363
H6	N2	H8	110.363	H7	N2	H8	110.363

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

using model chemistry: B3LYP/6-31G**

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	-0.224
2	N	-0.214
3	H	0.118
4	H	0.118
5	H	0.118
6	H	0.028
7	H	0.028
8	H	0.028

	x	y	z	Total
	0.000	0.000	-0.977	0.977
CHELPG
AIM
ESP

<r²>	31.596
(<r²>)^1/2	5.621

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

using model chemistry: B3LYP/6-31G**

States and conformations

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