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	hartrees
Energy at 0K	-95.896477
Energy at 298.15K	-95.903538
HF Energy	-95.896477
Nuclear repulsion energy	47.448360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2981	2946	89.11
2	A₁	2737	2705	17.74
3	A₁	1296	1281	90.27
4	A₁	1210	1196	181.30
5	A₁	944	933	43.34
6	A₂	284	281	0.00
7	E	3078	3042	6.24
7	E	3078	3042	6.23
8	E	2435	2407	2238.62
8	E	2435	2407	2238.82
9	E	1403	1387	4.38
9	E	1403	1387	4.37
10	E	1281	1266	1.17
10	E	1281	1266	1.17
11	E	1162	1148	25.85
11	E	1162	1148	25.84
12	E	833	823	73.84
12	E	833	823	73.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.786
N2	0.000	0.000	0.698
H3	0.000	-1.044	-1.128
H4	-0.904	0.522	-1.128
H5	0.904	0.522	-1.128
H6	0.000	1.004	1.072
H7	-0.869	-0.502	1.072
H8	0.869	-0.502	1.072

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4838	1.0982	1.0982	1.0982	2.1121	2.1121	2.1121
N2	1.4838		2.1029	2.1029	2.1029	1.0712	1.0712	1.0712
H3	1.0982	2.1029		1.8076	1.8076	3.0054	2.4270	2.4270
H4	1.0982	2.1029	1.8076		1.8076	2.4270	2.4270	3.0054
H5	1.0982	2.1029	1.8076	1.8076		2.4270	3.0054	2.4270
H6	2.1121	1.0712	3.0054	2.4270	2.4270		1.7383	1.7383
H7	2.1121	1.0712	2.4270	2.4270	3.0054	1.7383		1.7383
H8	2.1121	1.0712	2.4270	3.0054	2.4270	1.7383	1.7383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.471	C1	N2	H7	110.471
C1	N2	H8	110.471	N2	C1	H3	108.139
N2	C1	H4	108.139	N2	C1	H5	108.139
H3	C1	H4	110.770	H3	C1	H5	110.770
H4	C1	H5	110.770	H6	N2	H7	108.453
H6	N2	H8	108.453	H7	N2	H8	108.453

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.299
2	N	0.169
3	H	0.119
4	H	0.119
5	H	0.119
6	H	-0.075
7	H	-0.075
8	H	-0.075

	x	y	z
x	13.101	0.000	0.000
y	0.000	13.101	-0.001
z	0.000	-0.001	9.045

<r²>	32.398
(<r²>)^1/2	5.692

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

using model chemistry: LSDA/TZVP

States and conformations

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