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	hartrees
Energy at 0K	-96.276733
Energy at 298.15K	-96.283854
HF Energy	-96.276733
Nuclear repulsion energy	47.555186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2952	79.42
2	A₁	2835	2722	6.53
3	A₁	1368	1313	64.16
4	A₁	1276	1225	248.07
5	A₁	936	898	44.48
6	A₂	286	275	0.00
7	E	3174	3047	4.27
7	E	3174	3047	4.25
8	E	2495	2396	3662.97
8	E	2495	2396	3664.98
9	E	1481	1422	2.12
9	E	1481	1422	2.15
10	E	1366	1311	0.49
10	E	1366	1311	0.48
11	E	1214	1166	46.30
11	E	1214	1166	46.27
12	E	874	839	91.26
12	E	874	839	91.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.792
N2	0.000	0.000	0.703
H3	0.000	-1.035	-1.130
H4	-0.896	0.518	-1.130
H5	0.896	0.518	-1.130
H6	0.000	0.990	1.075
H7	-0.857	-0.495	1.075
H8	0.857	-0.495	1.075

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4953	1.0888	1.0888	1.0888	2.1138	2.1138	2.1138
N2	1.4953		2.1052	2.1052	2.1052	1.0575	1.0575	1.0575
H3	1.0888	2.1052		1.7928	1.7928	2.9941	2.4272	2.4272
H4	1.0888	2.1052	1.7928		1.7928	2.4272	2.4272	2.9941
H5	1.0888	2.1052	1.7928	1.7928		2.4272	2.9941	2.4272
H6	2.1138	1.0575	2.9941	2.4272	2.4272		1.7143	1.7143
H7	2.1138	1.0575	2.4272	2.4272	2.9941	1.7143		1.7143
H8	2.1138	1.0575	2.4272	2.9941	2.4272	1.7143	1.7143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.625	C1	N2	H7	110.625
C1	N2	H8	110.625	N2	C1	H3	108.078
N2	C1	H4	108.078	N2	C1	H5	108.078
H3	C1	H4	110.828	H3	C1	H5	110.828
H4	C1	H5	110.828	H6	N2	H7	108.293
H6	N2	H8	108.293	H7	N2	H8	108.293

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

using model chemistry: HSEh1PBE/TZVP

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	-0.161
2	N	0.310
3	H	0.084
4	H	0.084
5	H	0.084
6	H	-0.134
7	H	-0.134
8	H	-0.134

	x	y	z
x	15.016	0.000	0.000
y	0.000	15.023	-0.006
z	0.000	-0.006	8.898

<r²>	32.432
(<r²>)^1/2	5.695

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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