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	hartrees
Energy at 0K	-96.360789
Energy at 298.15K	-96.367849
HF Energy	-96.360789
Nuclear repulsion energy	47.129708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2991	2981	86.46
2	A₁	2838	2828	23.51
3	A₁	1353	1349	4.06
4	A₁	1310	1306	517.42
5	A₁	846	843	51.77
6	A₂	257	256	0.00
7	E	3077	3066	1.76
7	E	3077	3066	1.76
8	E	2706	2697	1944.74
8	E	2706	2697	1945.29
9	E	1448	1443	13.59
9	E	1448	1443	13.58
10	E	1421	1416	41.83
10	E	1421	1416	41.80
11	E	1199	1195	5.62
11	E	1199	1195	5.63
12	E	862	859	45.58
12	E	862	859	45.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.809
N2	0.000	0.000	0.715
H3	0.000	-1.040	-1.143
H4	-0.901	0.520	-1.143
H5	0.901	0.520	-1.143
H6	0.000	0.985	1.093
H7	-0.853	-0.493	1.093
H8	0.853	-0.493	1.093

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5240	1.0921	1.0921	1.0921	2.1427	2.1427	2.1427
N2	1.5240		2.1287	2.1287	2.1287	1.0556	1.0556	1.0556
H3	1.0921	2.1287		1.8013	1.8013	3.0170	2.4552	2.4552
H4	1.0921	2.1287	1.8013		1.8013	2.4552	2.4552	3.0170
H5	1.0921	2.1287	1.8013	1.8013		2.4552	3.0170	2.4552
H6	2.1427	1.0556	3.0170	2.4552	2.4552		1.7066	1.7066
H7	2.1427	1.0556	2.4552	2.4552	3.0170	1.7066		1.7066
H8	2.1427	1.0556	2.4552	3.0170	2.4552	1.7066	1.7066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.027	C1	N2	H7	111.027
C1	N2	H8	111.027	N2	C1	H3	107.776
N2	C1	H4	107.776	N2	C1	H5	107.776
H3	C1	H4	111.112	H3	C1	H5	111.112
H4	C1	H5	111.112	H6	N2	H7	107.871
H6	N2	H8	107.871	H7	N2	H8	107.871

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

using model chemistry: BLYP/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	-0.390
2	N	0.069
3	H	0.231
4	H	0.231
5	H	0.231
6	H	-0.125
7	H	-0.125
8	H	-0.125

	x	y	z
x	38.952	0.000	0.000
y	0.000	38.952	-0.002
z	0.000	-0.002	25.248

<r²>	35.725
(<r²>)^1/2	5.977

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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