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	hartrees
Energy at 0K	-95.765881
Energy at 298.15K
HF Energy	-95.765881
Nuclear repulsion energy	46.020953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3099	2943	30.09
2	A₁	2301	2185	118.18
3	A₁	1318	1251	178.46
4	A₁	1066	1013	0.80
5	A₁	687	653	6.22
6	A₂	252	239	0.00
7	E	3202	3041	15.46
7	E	3202	3041	15.45
8	E	1530	1453	0.36
8	E	1530	1453	0.36
9	E	1360	1291	759.66
9	E	1360	1291	759.74
10	E	1155	1096	20.08
10	E	1155	1096	20.07
11	E	834	792	10.75
11	E	834	792	10.75
12	E	1258i	1195i	5021.68
12	E	1258i	1195i	5022.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.820
N2	0.000	0.000	0.733
H3	0.000	-1.042	-1.138
H4	-0.902	0.521	-1.138
H5	0.902	0.521	-1.138
H6	0.000	1.078	1.066
H7	-0.934	-0.539	1.066
H8	0.934	-0.539	1.066

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5528	1.0896	1.0896	1.0896	2.1725	2.1725	2.1725
N2	1.5528		2.1421	2.1421	2.1421	1.1285	1.1285	1.1285
H3	1.0896	2.1421		1.8047	1.8047	3.0588	2.4466	2.4466
H4	1.0896	2.1421	1.8047		1.8047	2.4466	2.4466	3.0588
H5	1.0896	2.1421	1.8047	1.8047		2.4466	3.0588	2.4466
H6	2.1725	1.1285	3.0588	2.4466	2.4466		1.8674	1.8674
H7	2.1725	1.1285	2.4466	2.4466	3.0588	1.8674		1.8674
H8	2.1725	1.1285	2.4466	3.0588	2.4466	1.8674	1.8674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.175	C1	N2	H7	107.175
C1	N2	H8	107.175	N2	C1	H3	107.011
N2	C1	H4	107.011	N2	C1	H5	107.011
H3	C1	H4	111.815	H3	C1	H5	111.815
H4	C1	H5	111.815	H6	N2	H7	111.666
H6	N2	H8	111.666	H7	N2	H8	111.666

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

using model chemistry: mPW1PW91/3-21G*

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	-0.527
2	N	-0.515
3	H	0.229
4	H	0.229
5	H	0.229
6	H	0.118
7	H	0.118
8	H	0.118

	x	y	z	Total
	0.000	0.000	-1.006	1.006
CHELPG
AIM
ESP

<r²>	31.911
(<r²>)^1/2	5.649

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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