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	hartrees
Energy at 0K	-96.282750
Energy at 298.15K	-96.277678
HF Energy	-96.336636
Nuclear repulsion energy	46.951862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	2942	65.65
2	A₁	2481	2394	104.82
3	A₁	1306	1260	130.70
4	A₁	1122	1083	13.21
5	A₁	828	799	22.80
6	A₂	272	263	0.00
7	E	3146	3036	16.95
7	E	3146	3036	16.94
8	E	1654	1596	2080.30
8	E	1654	1596	2080.54
9	E	1460	1409	71.94
9	E	1460	1409	71.93
10	E	1213	1171	9.80
10	E	1213	1171	9.80
11	E	858	828	14.49
11	E	858	828	14.48
12	E	453	437	2191.50
12	E	453	437	2190.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.798
N2	0.000	0.000	0.714
H3	0.000	-1.041	-1.125
H4	-0.902	0.521	-1.125
H5	0.902	0.521	-1.125
H6	0.000	1.037	1.056
H7	-0.898	-0.518	1.056
H8	0.898	-0.518	1.056

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5122	1.0911	1.0911	1.0911	2.1248	2.1248	2.1248
N2	1.5122		2.1129	2.1129	2.1129	1.0920	1.0920	1.0920
H3	1.0911	2.1129		1.8032	1.8032	3.0125	2.4158	2.4158
H4	1.0911	2.1129	1.8032		1.8032	2.4158	2.4158	3.0125
H5	1.0911	2.1129	1.8032	1.8032		2.4158	3.0125	2.4158
H6	2.1248	1.0920	3.0125	2.4158	2.4158		1.7961	1.7961
H7	2.1248	1.0920	2.4158	2.4158	3.0125	1.7961		1.7961
H8	2.1248	1.0920	2.4158	3.0125	2.4158	1.7961	1.7961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.258	C1	N2	H7	108.258
C1	N2	H8	108.258	N2	C1	H3	107.415
N2	C1	H4	107.415	N2	C1	H5	107.415
H3	C1	H4	111.447	H3	C1	H5	111.447
H4	C1	H5	111.447	H6	N2	H7	110.657
H6	N2	H8	110.657	H7	N2	H8	110.657

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

using model chemistry: G4

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	-0.310
2	N	-0.090
3	H	0.122
4	H	0.122
5	H	0.122
6	H	0.012
7	H	0.012
8	H	0.012

	x	y	z	Total
	0.000	0.000	-0.903	0.903
CHELPG
AIM
ESP

<r²>	31.457
(<r²>)^1/2	5.609

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

using model chemistry: G4

States and conformations

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