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	hartrees
Energy at 0K	-96.267899
Energy at 298.15K	-96.275018
HF Energy	-96.267899
Nuclear repulsion energy	47.557014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	2951	78.43
2	A₁	2831	2717	4.33
3	A₁	1368	1312	64.59
4	A₁	1270	1219	269.63
5	A₁	938	901	46.85
6	A₂	286	274	0.00
7	E	3174	3046	3.48
7	E	3174	3046	3.47
8	E	2465	2365	4428.49
8	E	2465	2365	4427.80
9	E	1481	1421	1.48
9	E	1481	1421	1.49
10	E	1361	1306	0.40
10	E	1361	1306	0.39
11	E	1211	1162	57.98
11	E	1211	1162	58.02
12	E	870	835	114.13
12	E	870	835	114.33

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	-0.897	0.518	-1.130
H5	0.897	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		1.4948	1.0890	1.0890	1.0890	2.1137	2.1137	2.1137
N2	1.4948		2.1051	2.1051	2.1051	1.0576	1.0576	1.0576
H3	1.0890	2.1051		1.7931	1.7931	2.9943	2.4274	2.4274
H4	1.0890	2.1051	1.7931		1.7931	2.4274	2.4274	2.9943
H5	1.0890	2.1051	1.7931	1.7931		2.4274	2.9943	2.4274
H6	2.1137	1.0576	2.9943	2.4274	2.4274		1.7142	1.7142
H7	2.1137	1.0576	2.4274	2.4274	2.9943	1.7142		1.7142
H8	2.1137	1.0576	2.4274	2.9943	2.4274	1.7142	1.7142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.646	C1	N2	H7	110.646
C1	N2	H8	110.646	N2	C1	H3	108.089
N2	C1	H4	108.089	N2	C1	H5	108.089
H3	C1	H4	110.817	H3	C1	H5	110.817
H4	C1	H5	110.817	H6	N2	H7	108.272
H6	N2	H8	108.272	H7	N2	H8	108.272

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

using model chemistry: PBE1PBE/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	-0.158
2	N	0.319
3	H	0.083
4	H	0.083
5	H	0.083
6	H	-0.137
7	H	-0.137
8	H	-0.137

	x	y	z
x	16.172	0.000	0.000
y	0.000	16.175	-0.003
z	0.000	-0.003	8.990

<r²>	32.433
(<r²>)^1/2	5.695

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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