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	hartrees
Energy at 0K	-96.186457
Energy at 298.15K	-96.192911
HF Energy	-96.080664
Nuclear repulsion energy	46.927041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3116	2958	44.41
2	A₁	2511	2383	84.77
3	A₁	1354	1285	112.95
4	A₁	1150	1091	18.54
5	A₁	838	795	20.98
6	A₂	285	271	0.00
7	E	3215	3051	14.12
7	E	3215	3051	14.12
8	E	1617	1535	2041.75
8	E	1617	1535	2041.62
9	E	1518	1441	169.58
9	E	1518	1441	169.67
10	E	1239	1177	0.26
10	E	1239	1177	0.26
11	E	871	827	0.01
11	E	871	827	0.01
12	E	437	415	2983.14
12	E	437	415	2984.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.800
N2	0.000	0.000	0.712
H3	0.000	-1.038	-1.130
H4	-0.899	0.519	-1.130
H5	0.899	0.519	-1.130
H6	0.000	1.034	1.068
H7	-0.896	-0.517	1.068
H8	0.896	-0.517	1.068

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5122	1.0889	1.0889	1.0889	2.1348	2.1348	2.1348
N2	1.5122		2.1147	2.1147	2.1147	1.0934	1.0934	1.0934
H3	1.0889	2.1147		1.7971	1.7971	3.0204	2.4299	2.4299
H4	1.0889	2.1147	1.7971		1.7971	2.4299	2.4299	3.0204
H5	1.0889	2.1147	1.7971	1.7971		2.4299	3.0204	2.4299
H6	2.1348	1.0934	3.0204	2.4299	2.4299		1.7910	1.7910
H7	2.1348	1.0934	2.4299	2.4299	3.0204	1.7910		1.7910
H8	2.1348	1.0934	2.4299	3.0204	2.4299	1.7910	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.971	C1	N2	H7	108.971
C1	N2	H8	108.971	N2	C1	H3	107.665
N2	C1	H4	107.665	N2	C1	H5	107.665
H3	C1	H4	111.215	H3	C1	H5	111.215
H4	C1	H5	111.215	H6	N2	H7	109.967
H6	N2	H8	109.967	H7	N2	H8	109.967

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

using model chemistry: B2PLYP/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	-0.354
2	N	-0.402
3	H	0.165
4	H	0.165
5	H	0.165
6	H	0.087
7	H	0.087
8	H	0.087

	x	y	z	Total
	0.000	0.000	-1.059	1.059
CHELPG
AIM
ESP

<r²>	31.631
(<r²>)^1/2	5.624

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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