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	hartrees
Energy at 0K	-96.261086
Energy at 298.15K	-96.268256
HF Energy	-96.144538
Nuclear repulsion energy	47.653289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3115	2962	49.10
2	A₁	3009	2861	11.96
3	A₁	1421	1351	52.81
4	A₁	1357	1291	438.80
5	A₁	943	897	49.96
6	A₂	299	285	0.00
7	E	3220	3062	1.40
7	E	3220	3062	1.40
8	E	2953	2808	959.66
8	E	2953	2808	961.26
9	E	1523	1448	59.96
9	E	1523	1448	59.86
10	E	1510	1436	1.14
10	E	1510	1436	1.16
11	E	1254	1193	0.62
11	E	1254	1193	0.62
12	E	891	847	42.56
12	E	891	847	42.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.703
H3	0.000	-1.033	-1.134
H4	-0.895	0.517	-1.134
H5	0.895	0.517	-1.134
H6	0.000	0.974	1.084
H7	-0.843	-0.487	1.084
H8	0.843	-0.487	1.084

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4990	1.0872	1.0872	1.0872	2.1167	2.1167	2.1167
N2	1.4990		2.1080	2.1080	2.1080	1.0454	1.0454	1.0454
H3	1.0872	2.1080		1.7895	1.7895	2.9910	2.4348	2.4348
H4	1.0872	2.1080	1.7895		1.7895	2.4348	2.4348	2.9910
H5	1.0872	2.1080	1.7895	1.7895		2.4348	2.9910	2.4348
H6	2.1167	1.0454	2.9910	2.4348	2.4348		1.6866	1.6866
H7	2.1167	1.0454	2.4348	2.4348	2.9910	1.6866		1.6866
H8	2.1167	1.0454	2.4348	2.9910	2.4348	1.6866	1.6866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.339	C1	N2	H7	111.339
C1	N2	H8	111.339	N2	C1	H3	108.136
N2	C1	H4	108.136	N2	C1	H5	108.136
H3	C1	H4	110.773	H3	C1	H5	110.773
H4	C1	H5	110.773	H6	N2	H7	107.541
H6	N2	H8	107.541	H7	N2	H8	107.540

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

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

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