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	hartrees
Energy at 0K	-96.266363
Energy at 298.15K	-96.261238
HF Energy	-96.324418
Nuclear repulsion energy	46.801857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3077	2955	55.91
2	A₁	2465	2367	96.14
3	A₁	1328	1276	127.07
4	A₁	1136	1091	12.67
5	A₁	816	783	19.36
6	A₂	275	264	0.00
7	E	3170	3044	18.35
7	E	3170	3044	18.35
8	E	1619	1555	1870.30
8	E	1619	1555	1870.47
9	E	1491	1432	126.28
9	E	1491	1432	126.26
10	E	1221	1173	2.39
10	E	1221	1173	2.39
11	E	862	827	6.01
11	E	862	827	6.01
12	E	454	436	2467.33
12	E	454	436	2466.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
N2	0.000	0.000	0.714
H3	0.000	-1.040	-1.132
H4	-0.901	0.520	-1.132
H5	0.901	0.520	-1.132
H6	0.000	1.039	1.068
H7	-0.900	-0.520	1.068
H8	0.900	-0.520	1.068

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5161	1.0915	1.0915	1.0915	2.1387	2.1387	2.1387
N2	1.5161		2.1191	2.1191	2.1191	1.0976	1.0976	1.0976
H3	1.0915	2.1191		1.8020	1.8020	3.0268	2.4327	2.4327
H4	1.0915	2.1191	1.8020		1.8020	2.4327	2.4327	3.0268
H5	1.0915	2.1191	1.8020	1.8020		2.4327	3.0268	2.4327
H6	2.1387	1.0976	3.0268	2.4327	2.4327		1.7999	1.7999
H7	2.1387	1.0976	2.4327	2.4327	3.0268	1.7999		1.7999
H8	2.1387	1.0976	2.4327	3.0268	2.4327	1.7999	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.764	C1	N2	H7	108.764
C1	N2	H8	108.764	N2	C1	H3	107.606
N2	C1	H4	107.607	N2	C1	H5	107.607
H3	C1	H4	111.270	H3	C1	H5	111.270
H4	C1	H5	111.270	H6	N2	H7	110.169
H6	N2	H8	110.169	H7	N2	H8	110.169

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

using model chemistry: G3B3

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	-0.342
2	N	-0.379
3	H	0.158
4	H	0.158
5	H	0.158
6	H	0.082
7	H	0.082
8	H	0.082

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

<r²>	31.668
(<r²>)^1/2	5.627

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

using model chemistry: G3B3

States and conformations

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