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	hartrees
Energy at 0K	-96.332828
Energy at 298.15K
HF Energy	-96.332828
Nuclear repulsion energy	46.739401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	2939	58.80
2	A₁	2380	2281	93.26
3	A₁	1322	1268	114.63
4	A₁	1087	1042	4.91
5	A₁	799	766	19.20
6	A₂	271	260	0.00
7	E	3166	3036	20.40
7	E	3166	3035	20.41
8	E	1511	1449	343.66
8	E	1511	1449	343.15
9	E	1451	1391	1156.95
9	E	1451	1391	1158.04
10	E	1199	1150	22.60
10	E	1199	1150	22.60
11	E	846	811	27.30
11	E	846	811	27.30
12	E	1101i	1056i	5393.31
12	E	1101i	1056i	5395.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.800
N2	0.000	0.000	0.718
H3	0.000	-1.040	-1.128
H4	-0.901	0.520	-1.128
H5	0.901	0.520	-1.128
H6	0.000	1.053	1.053
H7	-0.912	-0.526	1.053
H8	0.912	-0.526	1.053

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5179	1.0907	1.0907	1.0907	2.1309	2.1309	2.1309
N2	1.5179		2.1187	2.1187	2.1187	1.1047	1.1047	1.1047
H3	1.0907	2.1187		1.8018	1.8018	3.0225	2.4187	2.4187
H4	1.0907	2.1187	1.8018		1.8018	2.4187	2.4187	3.0225
H5	1.0907	2.1187	1.8018	1.8018		2.4187	3.0225	2.4187
H6	2.1309	1.1047	3.0225	2.4187	2.4187		1.8234	1.8234
H7	2.1309	1.1047	2.4187	2.4187	3.0225	1.8234		1.8234
H8	2.1309	1.1047	2.4187	3.0225	2.4187	1.8234	1.8234

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.645	C1	N2	H7	107.645
C1	N2	H8	107.645	N2	C1	H3	107.494
N2	C1	H4	107.494	N2	C1	H5	107.494
H3	C1	H4	111.374	H3	C1	H5	111.374
H4	C1	H5	111.374	H6	N2	H7	111.234
H6	N2	H8	111.234	H7	N2	H8	111.234

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

using model chemistry: TPSSh/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	-0.271
2	N	-0.230
3	H	0.137
4	H	0.137
5	H	0.137
6	H	0.030
7	H	0.030
8	H	0.030

	x	y	z	Total
	0.000	0.000	-1.063	1.063
CHELPG
AIM
ESP

<r²>	31.602
(<r²>)^1/2	5.622

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

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

States and conformations

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