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	hartrees
Energy at 0K	-96.287040
Energy at 298.15K	-96.294184
HF Energy	-96.156723
Nuclear repulsion energy	47.443876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2949	70.44
2	A₁	2836	2706	8.35
3	A₁	1389	1326	51.50
4	A₁	1302	1242	233.53
5	A₁	906	865	34.18
6	A₂	297	284	0.00
7	E	3190	3044	4.21
7	E	3190	3044	4.22
8	E	2538	2422	2991.30
8	E	2538	2422	2991.19
9	E	1505	1436	0.82
9	E	1505	1436	0.83
10	E	1396	1332	3.07
10	E	1396	1332	3.06
11	E	1229	1173	36.44
11	E	1229	1173	36.45
12	E	884	844	73.54
12	E	884	844	73.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.799
N2	0.000	0.000	0.707
H3	0.000	-1.033	-1.132
H4	-0.895	0.517	-1.132
H5	0.895	0.517	-1.132
H6	0.000	0.989	1.081
H7	-0.856	-0.494	1.081
H8	0.856	-0.494	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5062	1.0857	1.0857	1.0857	2.1242	2.1242	2.1242
N2	1.5062		2.1097	2.1097	2.1097	1.0569	1.0569	1.0569
H3	1.0857	2.1097		1.7897	1.7897	2.9978	2.4336	2.4336
H4	1.0857	2.1097	1.7897		1.7897	2.4336	2.4336	2.9978
H5	1.0857	2.1097	1.7897	1.7897		2.4336	2.9978	2.4336
H6	2.1242	1.0569	2.9978	2.4336	2.4336		1.7122	1.7122
H7	2.1242	1.0569	2.4336	2.4336	2.9978	1.7122		1.7122
H8	2.1242	1.0569	2.4336	2.9978	2.4336	1.7122	1.7122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.724	C1	N2	H7	110.724
C1	N2	H8	110.724	N2	C1	H3	107.871
N2	C1	H4	107.871	N2	C1	H5	107.871
H3	C1	H4	111.023	H3	C1	H5	111.023
H4	C1	H5	111.023	H6	N2	H7	108.190
H6	N2	H8	108.190	H7	N2	H8	108.190

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3NH3 (methyl ammonium radical)

using model chemistry: B2PLYP=FULL/TZVP

States and conformations

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