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	hartrees
Energy at 0K	-95.670284
Energy at 298.15K
HF Energy	-95.670284
Nuclear repulsion energy	46.015404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3091	2967	30.94
2	A₁	2299	2207	121.02
3	A₁	1314	1261	182.34
4	A₁	1067	1024	1.08
5	A₁	703	675	5.17
6	A₂	253	242	0.00
7	E	3195	3067	15.32
7	E	3195	3067	15.32
8	E	1524	1463	0.59
8	E	1524	1463	0.59
9	E	1359	1305	759.16
9	E	1359	1305	759.31
10	E	1154	1108	21.26
10	E	1154	1108	21.27
11	E	833	799	10.83
11	E	833	799	10.83
12	E	1258i	1207i	4949.29
12	E	1258i	1207i	4950.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.818
N2	0.000	0.000	0.733
H3	0.000	-1.043	-1.138
H4	-0.904	0.522	-1.138
H5	0.904	0.522	-1.138
H6	0.000	1.080	1.064
H7	-0.935	-0.540	1.064
H8	0.935	-0.540	1.064

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5512	1.0911	1.0911	1.0911	2.1704	2.1704	2.1704
N2	1.5512		2.1418	2.1418	2.1418	1.1299	1.1299	1.1299
H3	1.0911	2.1418		1.8070	1.8070	3.0590	2.4448	2.4448
H4	1.0911	2.1418	1.8070		1.8070	2.4448	2.4448	3.0590
H5	1.0911	2.1418	1.8070	1.8070		2.4448	3.0590	2.4448
H6	2.1704	1.1299	3.0590	2.4448	2.4448		1.8709	1.8709
H7	2.1704	1.1299	2.4448	2.4448	3.0590	1.8709		1.8709
H8	2.1704	1.1299	2.4448	3.0590	2.4448	1.8709	1.8709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.054	C1	N2	H7	107.054
C1	N2	H8	107.054	N2	C1	H3	107.022
N2	C1	H4	107.022	N2	C1	H5	107.022
H3	C1	H4	111.805	H3	C1	H5	111.805
H4	C1	H5	111.805	H6	N2	H7	111.776
H6	N2	H8	111.776	H7	N2	H8	111.776

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

using model chemistry: PBE1PBE/3-21G*

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	-0.529
2	N	-0.518
3	H	0.229
4	H	0.229
5	H	0.229
6	H	0.120
7	H	0.120
8	H	0.120

	x	y	z	Total
	0.000	0.000	-0.983	0.983
CHELPG
AIM
ESP

<r²>	31.917
(<r²>)^1/2	5.649

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

using model chemistry: PBE1PBE/3-21G*

States and conformations

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