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	hartrees
Energy at 0K	-96.371968
Energy at 298.15K	-96.379129
HF Energy	-96.371968
Nuclear repulsion energy	47.778066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2959	44.06
2	A₁	3053	2921	232.22
3	A₁	1414	1353	0.18
4	A₁	1378	1318	790.66
5	A₁	963	922	55.11
6	A₂	282	269	0.00
7	E	3192	3053	2.09
7	E	3192	3053	2.08
8	E	2933	2805	4430.25
8	E	2933	2805	4425.56
9	E	1509	1443	297.56
9	E	1509	1443	298.06
10	E	1494	1429	18.56
10	E	1494	1429	18.56
11	E	1247	1193	0.59
11	E	1247	1193	0.60
12	E	892	853	129.76
12	E	892	853	129.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.795
N2	0.000	0.000	0.704
H3	0.000	-1.032	-1.133
H4	-0.893	0.516	-1.133
H5	0.893	0.516	-1.133
H6	0.000	0.974	1.082
H7	-0.843	-0.487	1.082
H8	0.843	-0.487	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4992	1.0854	1.0854	1.0854	2.1148	2.1148	2.1148
N2	1.4992		2.1064	2.1064	2.1064	1.0444	1.0444	1.0444
H3	1.0854	2.1064		1.7868	1.7868	2.9876	2.4317	2.4317
H4	1.0854	2.1064	1.7868		1.7868	2.4317	2.4317	2.9876
H5	1.0854	2.1064	1.7868	1.7868		2.4317	2.9876	2.4317
H6	2.1148	1.0444	2.9876	2.4317	2.4317		1.6862	1.6862
H7	2.1148	1.0444	2.4317	2.4317	2.9876	1.6862		1.6862
H8	2.1148	1.0444	2.4317	2.9876	2.4317	1.6862	1.6862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.233	C1	N2	H7	111.233
C1	N2	H8	111.233	N2	C1	H3	108.109
N2	C1	H4	108.109	N2	C1	H5	108.109
H3	C1	H4	110.798	H3	C1	H5	110.798
H4	C1	H5	110.798	H6	N2	H7	107.653
H6	N2	H8	107.653	H7	N2	H8	107.653

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.478
2	N	0.003
3	H	0.296
4	H	0.296
5	H	0.296
6	H	-0.138
7	H	-0.138
8	H	-0.138

	x	y	z
x	51.484	0.000	0.000
y	0.000	51.481	-0.002
z	0.000	-0.002	28.319

<r²>	35.710
(<r²>)^1/2	5.976

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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