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	hartrees
Energy at 0K	-95.649585
Energy at 298.15K
HF Energy	-95.649585
Nuclear repulsion energy	47.719939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3210	2907	36.77
2	A₁	2750	2490	46.20
3	A₁	1490	1350	46.44
4	A₁	1245	1128	38.01
5	A₁	980	888	66.08
6	A₂	314	284	0.00
7	E	3303	2991	9.85
7	E	3303	2991	9.85
8	E	1611	1459	17.76
8	E	1611	1459	17.76
9	E	1459	1321	1488.40
9	E	1459	1321	1488.40
10	E	1350	1222	27.51
10	E	1350	1222	27.51
11	E	953	863	8.01
11	E	953	863	8.01
12	E	1698i	1537i	20117.91
12	E	1698i	1537i	20117.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.785
N2	0.000	0.000	0.701
H3	0.000	-1.026	-1.124
H4	-0.888	0.513	-1.124
H5	0.888	0.513	-1.124
H6	0.000	1.003	1.058
H7	-0.868	-0.501	1.058
H8	0.868	-0.501	1.058

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4862	1.0805	1.0805	1.0805	2.0977	2.0977	2.0977
N2	1.4862		2.0942	2.0942	2.0942	1.0641	1.0641	1.0641
H3	1.0805	2.0942		1.7766	1.7766	2.9793	2.4064	2.4064
H4	1.0805	2.0942	1.7766		1.7766	2.4064	2.4064	2.9793
H5	1.0805	2.0942	1.7766	1.7766		2.4064	2.9793	2.4064
H6	2.0977	1.0641	2.9793	2.4064	2.4064		1.7367	1.7367
H7	2.0977	1.0641	2.4064	2.4064	2.9793	1.7367		1.7367
H8	2.0977	1.0641	2.4064	2.9793	2.4064	1.7367	1.7367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.565	C1	N2	H7	109.565
C1	N2	H8	109.565	N2	C1	H3	108.319
N2	C1	H4	108.319	N2	C1	H5	108.319
H3	C1	H4	110.598	H3	C1	H5	110.598
H4	C1	H5	110.598	H6	N2	H7	109.377
H6	N2	H8	109.377	H7	N2	H8	109.377

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

using model chemistry: HF/6-31G(2df,p)

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	-0.299
2	N	-0.176
3	H	0.147
4	H	0.147
5	H	0.147
6	H	0.011
7	H	0.011
8	H	0.011

	x	y	z	Total
	0.000	0.000	-1.320	1.320
CHELPG
AIM
ESP

<r²>	31.062
(<r²>)^1/2	5.573

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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