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	hartrees
Energy at 0K	-96.103917
Energy at 298.15K	-96.111094
HF Energy	-95.721100
Nuclear repulsion energy	47.427911

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2982	50.25
2	A₁	3070	2961	103.03
3	A₁	1415	1364	9.31
4	A₁	1393	1344	695.58
5	A₁	976	941	55.64
6	A₂	290	280	0.00
7	E	3198	3084	1.44
7	E	3198	3084	1.44
8	E	3044	2936	2661.37
8	E	3044	2936	2661.37
9	E	1533	1478	176.22
9	E	1533	1478	176.22
10	E	1486	1433	0.19
10	E	1486	1433	0.19
11	E	1254	1210	0.15
11	E	1254	1210	0.15
12	E	891	859	100.09
12	E	891	859	100.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.800
N2	0.000	0.000	0.707
H3	0.000	-1.044	-1.141
H4	-0.904	0.522	-1.141
H5	0.904	0.522	-1.141
H6	0.000	0.971	1.091
H7	-0.841	-0.486	1.091
H8	0.841	-0.486	1.091

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5064	1.0981	1.0981	1.0981	2.1260	2.1260	2.1260
N2	1.5064		2.1218	2.1218	2.1218	1.0448	1.0448	1.0448
H3	1.0981	2.1218		1.8080	1.8080	3.0071	2.4496	2.4496
H4	1.0981	2.1218	1.8080		1.8080	2.4496	2.4496	3.0071
H5	1.0981	2.1218	1.8080	1.8080		2.4496	3.0071	2.4496
H6	2.1260	1.0448	3.0071	2.4496	2.4496		1.6826	1.6826
H7	2.1260	1.0448	2.4496	2.4496	3.0071	1.6826		1.6826
H8	2.1260	1.0448	2.4496	3.0071	2.4496	1.6826	1.6826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.601	C1	N2	H7	111.601
C1	N2	H8	111.601	N2	C1	H3	108.080
N2	C1	H4	108.080	N2	C1	H5	108.080
H3	C1	H4	110.826	H3	C1	H5	110.826
H4	C1	H5	110.826	H6	N2	H7	107.260
H6	N2	H8	107.260	H7	N2	H8	107.260

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

using model chemistry: CCD/aug-cc-pVDZ

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

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

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