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	hartrees
Energy at 0K	-96.275459
Energy at 298.15K
HF Energy	-96.275459
Nuclear repulsion energy	46.593083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2986	87.15
2	A₁	2326	2326	102.50
3	A₁	1255	1255	140.45
4	A₁	1055	1055	6.74
5	A₁	748	748	16.26
6	A₂	257	257	0.00
7	E	3089	3089	23.72
7	E	3089	3089	23.75
8	E	1497	1497	1433.83
8	E	1496	1496	1434.72
9	E	1416	1416	273.74
9	E	1416	1416	274.18
10	E	1161	1161	33.10
10	E	1161	1161	33.12
11	E	828	828	51.12
11	E	828	828	51.17
12	E	789i	789i	3517.11
12	E	789i	789i	3520.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.803
N2	0.000	0.000	0.720
H3	0.000	-1.047	-1.125
H4	-0.907	0.524	-1.125
H5	0.907	0.524	-1.125
H6	0.000	1.058	1.050
H7	-0.916	-0.529	1.050
H8	0.916	-0.529	1.050

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5233	1.0957	1.0957	1.0957	2.1340	2.1340	2.1340
N2	1.5233		2.1218	2.1218	2.1218	1.1081	1.1081	1.1081
H3	1.0957	2.1218		1.8140	1.8140	3.0272	2.4167	2.4167
H4	1.0957	2.1218	1.8140		1.8140	2.4167	2.4167	3.0272
H5	1.0957	2.1218	1.8140	1.8140		2.4167	3.0272	2.4167
H6	2.1340	1.1081	3.0272	2.4167	2.4167		1.8322	1.8322
H7	2.1340	1.1081	2.4167	2.4167	3.0272	1.8322		1.8322
H8	2.1340	1.1081	2.4167	3.0272	2.4167	1.8322	1.8322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.334	C1	N2	H7	107.334
C1	N2	H8	107.334	N2	C1	H3	107.088
N2	C1	H4	107.088	N2	C1	H5	107.088
H3	C1	H4	111.745	H3	C1	H5	111.745
H4	C1	H5	111.745	H6	N2	H7	111.522
H6	N2	H8	111.522	H7	N2	H8	111.522

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

using model chemistry: B97D3/6-31G(2df,p)

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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Number	Element	Mulliken
1	C	-0.312
2	N	-0.052
3	H	0.127
4	H	0.127
5	H	0.127
6	H	-0.005
7	H	-0.005
8	H	-0.005

	x	y	z
x	8.553	0.000	0.000
y	0.000	8.548	-0.000
z	0.000	-0.000	5.621

<r²>	31.665
(<r²>)^1/2	5.627

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

using model chemistry: B97D3/6-31G(2df,p)

States and conformations

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