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	hartrees
Energy at 0K	-95.666292
Energy at 298.15K
HF Energy	-95.666292
Nuclear repulsion energy	45.430101

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3001	2861	37.95
2	A₁	2189	2087	132.39
3	A₁	1236	1179	199.01
4	A₁	1022	974	1.68
5	A₁	592	565	10.85
6	A₂	237	226	0.00
7	E	3105	2960	20.67
7	E	3105	2960	20.67
8	E	1476	1407	50.11
8	E	1476	1407	50.10
9	E	1406	1341	804.55
9	E	1406	1341	804.75
10	E	1096	1045	16.92
10	E	1096	1045	16.92
11	E	800	763	20.61
11	E	800	763	20.62
12	E	805i	768i	2502.23
12	E	805i	768i	2502.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.833
N2	0.000	0.000	0.744
H3	0.000	-1.054	-1.145
H4	-0.913	0.527	-1.145
H5	0.913	0.527	-1.145
H6	0.000	1.096	1.077
H7	-0.949	-0.548	1.077
H8	0.949	-0.548	1.077

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5767	1.0993	1.0993	1.0993	2.2021	2.2021	2.2021
N2	1.5767		2.1631	2.1631	2.1631	1.1456	1.1456	1.1456
H3	1.0993	2.1631		1.8256	1.8256	3.0920	2.4688	2.4688
H4	1.0993	2.1631	1.8256		1.8256	2.4688	2.4688	3.0920
H5	1.0993	2.1631	1.8256	1.8256		2.4688	3.0920	2.4688
H6	2.2021	1.1456	3.0920	2.4688	2.4688		1.8984	1.8984
H7	2.2021	1.1456	2.4688	2.4688	3.0920	1.8984		1.8984
H8	2.2021	1.1456	2.4688	3.0920	2.4688	1.8984	1.8984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	106.913	C1	N2	H7	106.913
C1	N2	H8	106.913	N2	C1	H3	106.500
N2	C1	H4	106.500	N2	C1	H5	106.500
H3	C1	H4	112.272	H3	C1	H5	112.272
H4	C1	H5	112.272	H6	N2	H7	111.904
H6	N2	H8	111.904	H7	N2	H8	111.904

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

using model chemistry: PBEPBE/3-21G*

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	-0.516
2	N	-0.462
3	H	0.215
4	H	0.215
5	H	0.215
6	H	0.111
7	H	0.111
8	H	0.111

<r²>	32.453
(<r²>)^1/2	5.697

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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