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	hartrees
Energy at 0K	-96.279167
Energy at 298.15K	-96.286239
HF Energy	-96.279167
Nuclear repulsion energy	47.335942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2995	2975	94.90
2	A₁	2864	2845	43.50
3	A₁	1340	1331	7.74
4	A₁	1290	1281	715.85
5	A₁	901	895	67.46
6	A₂	263	261	0.00
7	E	3088	3068	1.61
7	E	3088	3068	1.59
8	E	2721	2703	2803.42
8	E	2721	2703	2805.48
9	E	1431	1421	25.59
9	E	1431	1421	25.56
10	E	1401	1392	77.91
10	E	1401	1392	77.87
11	E	1195	1187	3.61
11	E	1195	1187	3.62
12	E	855	849	85.88
12	E	855	849	85.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.800
N2	0.000	0.000	0.708
H3	0.000	-1.041	-1.138
H4	-0.902	0.521	-1.138
H5	0.902	0.521	-1.138
H6	0.000	0.985	1.086
H7	-0.853	-0.492	1.086
H8	0.853	-0.492	1.086

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5075	1.0948	1.0948	1.0948	2.1276	2.1276	2.1276
N2	1.5075		2.1191	2.1191	2.1191	1.0550	1.0550	1.0550
H3	1.0948	2.1191		1.8035	1.8035	3.0085	2.4443	2.4443
H4	1.0948	2.1191	1.8035		1.8035	2.4443	2.4443	3.0085
H5	1.0948	2.1191	1.8035	1.8035		2.4443	3.0085	2.4443
H6	2.1276	1.0550	3.0085	2.4443	2.4443		1.7057	1.7057
H7	2.1276	1.0550	2.4443	2.4443	3.0085	1.7057		1.7057
H8	2.1276	1.0550	2.4443	3.0085	2.4443	1.7057	1.7057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.021	C1	N2	H7	111.021
C1	N2	H8	111.021	N2	C1	H3	107.986
N2	C1	H4	107.986	N2	C1	H5	107.986
H3	C1	H4	110.914	H3	C1	H5	110.914
H4	C1	H5	110.914	H6	N2	H7	107.878
H6	N2	H8	107.878	H7	N2	H8	107.878

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

using model chemistry: PBEPBE/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	-0.406
2	N	0.041
3	H	0.255
4	H	0.255
5	H	0.255
6	H	-0.133
7	H	-0.133
8	H	-0.133

	x	y	z
x	45.081	0.000	0.000
y	0.000	45.076	-0.004
z	0.000	-0.004	27.664

<r²>	35.537
(<r²>)^1/2	5.961

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

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