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	hartrees
Energy at 0K	-96.300215
Energy at 298.15K
HF Energy	-96.300215
Nuclear repulsion energy	46.993784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3072	2944	56.85
2	A₁	2500	2396	83.71
3	A₁	1316	1261	128.78
4	A₁	1114	1068	11.39
5	A₁	833	799	26.29
6	A₂	273	262	0.00
7	E	3174	3042	15.42
7	E	3174	3042	15.43
8	E	1604	1538	2217.41
8	E	1604	1538	2217.54
9	E	1470	1409	141.58
9	E	1470	1409	141.56
10	E	1205	1155	9.36
10	E	1205	1155	9.35
11	E	850	814	19.83
11	E	850	814	19.82
12	E	169i	162i	3069.50
12	E	169i	162i	3069.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.795
N2	0.000	0.000	0.712
H3	0.000	-1.039	-1.128
H4	-0.900	0.520	-1.128
H5	0.900	0.520	-1.128
H6	0.000	1.038	1.057
H7	-0.899	-0.519	1.057
H8	0.899	-0.519	1.057

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5061	1.0913	1.0913	1.0913	2.1227	2.1227	2.1227
N2	1.5061		2.1130	2.1130	2.1130	1.0939	1.0939	1.0939
H3	1.0913	2.1130		1.7997	1.7997	3.0149	2.4195	2.4195
H4	1.0913	2.1130	1.7997		1.7997	2.4195	2.4195	3.0149
H5	1.0913	2.1130	1.7997	1.7997		2.4195	3.0149	2.4195
H6	2.1227	1.0939	3.0149	2.4195	2.4195		1.7978	1.7978
H7	2.1227	1.0939	2.4195	2.4195	3.0149	1.7978		1.7978
H8	2.1227	1.0939	2.4195	3.0149	2.4195	1.7978	1.7978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.412	C1	N2	H7	108.412
C1	N2	H8	108.412	N2	C1	H3	107.804
N2	C1	H4	107.804	N2	C1	H5	107.804
H3	C1	H4	111.086	H3	C1	H5	111.086
H4	C1	H5	111.086	H6	N2	H7	110.510
H6	N2	H8	110.510	H7	N2	H8	110.510

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

using model chemistry: B3PW91/6-31G**

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	-0.295
2	N	-0.243
3	H	0.142
4	H	0.142
5	H	0.142
6	H	0.037
7	H	0.037
8	H	0.037

	x	y	z	Total
	0.000	0.000	-1.010	1.010
CHELPG
AIM
ESP

<r²>	31.397
(<r²>)^1/2	5.603

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

using model chemistry: B3PW91/6-31G**

States and conformations

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