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	hartrees
Energy at 0K	-95.722876
Energy at 298.15K
HF Energy	-95.722876
Nuclear repulsion energy	46.011914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3104	2970	28.29
2	A₁	2289	2190	137.50
3	A₁	1299	1243	193.49
4	A₁	1069	1022	0.25
5	A₁	633	605	11.41
6	A₂	246	235	0.00
7	E	3208	3069	15.81
7	E	3208	3069	15.81
8	E	1525	1459	0.89
8	E	1525	1459	0.89
9	E	1376	1317	811.55
9	E	1376	1317	811.85
10	E	1141	1092	11.86
10	E	1141	1092	11.86
11	E	818	783	10.27
11	E	818	783	10.28
12	E	1046i	1001i	4099.41
12	E	1046i	1001i	4101.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.823
N2	0.000	0.000	0.734
H3	0.000	-1.041	-1.138
H4	-0.902	0.521	-1.138
H5	0.902	0.521	-1.138
H6	0.000	1.073	1.072
H7	-0.930	-0.537	1.072
H8	0.930	-0.537	1.072

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5572	1.0878	1.0878	1.0878	2.1784	2.1784	2.1784
N2	1.5572		2.1419	2.1419	2.1419	1.1255	1.1255	1.1255
H3	1.0878	2.1419		1.8036	1.8036	3.0589	2.4501	2.4501
H4	1.0878	2.1419	1.8036		1.8036	2.4501	2.4501	3.0589
H5	1.0878	2.1419	1.8036	1.8036		2.4501	3.0589	2.4501
H6	2.1784	1.1255	3.0589	2.4501	2.4501		1.8593	1.8593
H7	2.1784	1.1255	2.4501	2.4501	3.0589	1.8593		1.8593
H8	2.1784	1.1255	2.4501	3.0589	2.4501	1.8593	1.8593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.493	C1	N2	H7	107.493
C1	N2	H8	107.493	N2	C1	H3	106.804
N2	C1	H4	106.804	N2	C1	H5	106.804
H3	C1	H4	112.002	H3	C1	H5	112.002
H4	C1	H5	112.001	H6	N2	H7	111.375
H6	N2	H8	111.375	H7	N2	H8	111.375

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

using model chemistry: B1B95/3-21G

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	-0.513
2	N	-0.505
3	H	0.222
4	H	0.222
5	H	0.222
6	H	0.117
7	H	0.117
8	H	0.117

	x	y	z	Total
	0.000	0.000	-0.941	0.941
CHELPG
AIM
ESP

<r²>	31.935
(<r²>)^1/2	5.651

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

using model chemistry: B1B95/3-21G

States and conformations

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