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	hartrees
Energy at 0K	-95.737821
Energy at 298.15K	-95.745117
HF Energy	-95.737821
Nuclear repulsion energy	48.334913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3384	3075	88.08
2	A₁	3212	2918	11.66
3	A₁	1557	1415	0.02
4	A₁	1517	1379	1018.75
5	A₁	1038	943	53.38
6	A₂	326	297	0.00
7	E	3381	3072	1479.52
7	E	3381	3072	1479.52
8	E	3301	3000	4.63
8	E	3301	3000	4.63
9	E	1697	1542	412.33
9	E	1697	1542	412.33
10	E	1614	1467	34.61
10	E	1614	1467	34.61
11	E	1372	1247	13.64
11	E	1372	1247	13.64
12	E	957	870	194.53
12	E	957	870	194.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.787
N2	0.000	0.000	0.696
H3	0.000	-1.022	-1.128
H4	-0.885	0.511	-1.128
H5	0.885	0.511	-1.128
H6	0.000	0.944	1.076
H7	-0.818	-0.472	1.076
H8	0.818	-0.472	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4829	1.0777	1.0777	1.0777	2.0887	2.0887	2.0887
N2	1.4829		2.0914	2.0914	2.0914	1.0181	1.0181	1.0181
H3	1.0777	2.0914		1.7703	1.7703	2.9543	2.4150	2.4150
H4	1.0777	2.0914	1.7703		1.7703	2.4150	2.4150	2.9543
H5	1.0777	2.0914	1.7703	1.7703		2.4150	2.9543	2.4150
H6	2.0887	1.0181	2.9543	2.4150	2.4150		1.6359	1.6359
H7	2.0887	1.0181	2.4150	2.4150	2.9543	1.6359		1.6359
H8	2.0887	1.0181	2.4150	2.9543	2.4150	1.6359	1.6359

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.920	C1	N2	H7	111.920
C1	N2	H8	111.920	N2	C1	H3	108.490
N2	C1	H4	108.490	N2	C1	H5	108.490
H3	C1	H4	110.434	H3	C1	H5	110.434
H4	C1	H5	110.434	H6	N2	H7	106.916
H6	N2	H8	106.916	H7	N2	H8	106.916

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

using model chemistry: HF/6-311+G(3df,2p)

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	-1.543
2	N	0.197
3	H	0.200
4	H	0.200
5	H	0.200
6	H	0.249
7	H	0.249
8	H	0.249

	x	y	z	Total
	0.000	0.000	-2.060	2.060
CHELPG
AIM
ESP

<r²>	34.405
(<r²>)^1/2	5.866

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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