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	hartrees
Energy at 0K	-96.388616
Energy at 298.15K	-96.395687
HF Energy	-96.388616
Nuclear repulsion energy	47.333300

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	2952	88.38
2	A₁	2725	2638	23.80
3	A₁	1359	1316	73.26
4	A₁	1226	1187	249.13
5	A₁	888	860	39.25
6	A₂	273	264	0.00
7	E	3141	3042	7.68
7	E	3141	3042	7.67
8	E	2252	2180	6101.36
8	E	2252	2180	6109.84
9	E	1483	1436	2.49
9	E	1483	1436	2.49
10	E	1336	1293	18.94
10	E	1336	1293	18.98
11	E	1195	1157	197.84
11	E	1195	1157	198.03
12	E	849	822	150.88
12	E	849	822	151.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.801
N2	0.000	0.000	0.708
H3	0.000	-1.037	-1.129
H4	-0.898	0.519	-1.129
H5	0.898	0.519	-1.129
H6	0.000	0.996	1.078
H7	-0.862	-0.498	1.078
H8	0.862	-0.498	1.078

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5085	1.0881	1.0881	1.0881	2.1266	2.1266	2.1266
N2	1.5085		2.1094	2.1094	2.1094	1.0625	1.0625	1.0625
H3	1.0881	2.1094		1.7969	1.7969	3.0010	2.4304	2.4304
H4	1.0881	2.1094	1.7969		1.7969	2.4304	2.4304	3.0010
H5	1.0881	2.1094	1.7969	1.7969		2.4304	3.0010	2.4304
H6	2.1266	1.0625	3.0010	2.4304	2.4304		1.7247	1.7247
H7	2.1266	1.0625	2.4304	2.4304	3.0010	1.7247		1.7247
H8	2.1266	1.0625	2.4304	3.0010	2.4304	1.7247	1.7247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.412	C1	N2	H7	110.412
C1	N2	H8	110.412	N2	C1	H3	107.557
N2	C1	H4	107.557	N2	C1	H5	107.557
H3	C1	H4	111.316	H3	C1	H5	111.316
H4	C1	H5	111.316	H6	N2	H7	108.514
H6	N2	H8	108.514	H7	N2	H8	108.514

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

using model chemistry: TPSSh/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	-0.076
2	N	0.380
3	H	0.065
4	H	0.065
5	H	0.065
6	H	-0.166
7	H	-0.166
8	H	-0.166

	x	y	z
x	18.007	0.000	0.000
y	0.000	18.032	-0.001
z	0.000	-0.001	9.283

<r²>	32.448
(<r²>)^1/2	5.696

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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