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	hartrees
Energy at 0K	-96.267066
Energy at 298.15K	-96.274173
HF Energy	-96.267066
Nuclear repulsion energy	47.628223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3068	2949	83.87
2	A₁	2839	2728	28.75
3	A₁	1362	1309	72.40
4	A₁	1245	1196	247.32
5	A₁	948	911	48.19
6	A₂	281	270	0.00
7	E	3163	3040	4.42
7	E	3163	3040	4.43
8	E	2439	2344	4925.72
8	E	2439	2344	4927.21
9	E	1468	1411	1.28
9	E	1468	1411	1.28
10	E	1363	1310	0.00
10	E	1363	1310	0.00
11	E	1212	1165	68.07
11	E	1212	1165	68.13
12	E	857	824	142.97
12	E	857	824	143.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.791
N2	0.000	0.000	0.701
H3	0.000	-1.035	-1.127
H4	-0.897	0.518	-1.127
H5	0.897	0.518	-1.127
H6	0.000	0.989	1.073
H7	-0.856	-0.494	1.073
H8	0.856	-0.494	1.073

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4918	1.0883	1.0883	1.0883	2.1101	2.1101	2.1101
N2	1.4918		2.1005	2.1005	2.1005	1.0565	1.0565	1.0565
H3	1.0883	2.1005		1.7930	1.7930	2.9894	2.4219	2.4219
H4	1.0883	2.1005	1.7930		1.7930	2.4219	2.4219	2.9894
H5	1.0883	2.1005	1.7930	1.7930		2.4219	2.9894	2.4219
H6	2.1101	1.0565	2.9894	2.4219	2.4219		1.7126	1.7126
H7	2.1101	1.0565	2.4219	2.4219	2.9894	1.7126		1.7126
H8	2.1101	1.0565	2.4219	2.9894	2.4219	1.7126	1.7126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.634	C1	N2	H7	110.634
C1	N2	H8	110.634	N2	C1	H3	107.977
N2	C1	H4	107.977	N2	C1	H5	107.977
H3	C1	H4	110.923	H3	C1	H5	110.923
H4	C1	H5	110.923	H6	N2	H7	108.284
H6	N2	H8	108.284	H7	N2	H8	108.284

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

using model chemistry: PBE1PBE/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	-0.139
2	N	0.392
3	H	0.080
4	H	0.080
5	H	0.080
6	H	-0.164
7	H	-0.164
8	H	-0.164

	x	y	z
x	16.888	0.000	0.000
y	0.000	16.894	-0.002
z	0.000	-0.002	9.504

<r²>	32.197
(<r²>)^1/2	5.674

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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