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	hartrees
Energy at 0K	-96.336565
Energy at 298.15K	-96.343631
HF Energy	-96.336565
Nuclear repulsion energy	47.346519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2999	2960	101.10
2	A₁	2759	2723	37.54
3	A₁	1344	1327	32.55
4	A₁	1190	1174	1436.53
5	A₁	842	831	227.05
6	A₂	282	278	0.00
7	E	3094	3054	1.27
7	E	3094	3054	1.26
8	E	2564	2530	3248.19
8	E	2563	2530	3256.94
9	E	1446	1427	47.82
9	E	1446	1427	48.32
10	E	1383	1365	222.22
10	E	1383	1365	222.77
11	E	1196	1181	0.93
11	E	1196	1181	0.93
12	E	850	839	241.11
12	E	850	839	240.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.803
N2	0.000	0.000	0.709
H3	0.000	-1.039	-1.134
H4	-0.900	0.520	-1.134
H5	0.900	0.520	-1.134
H6	0.000	0.985	1.085
H7	-0.853	-0.492	1.085
H8	0.853	-0.492	1.085

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5113	1.0909	1.0909	1.0909	2.1293	2.1293	2.1293
N2	1.5113		2.1156	2.1156	2.1156	1.0543	1.0543	1.0543
H3	1.0909	2.1156		1.8003	1.8003	3.0037	2.4396	2.4396
H4	1.0909	2.1156	1.8003		1.8003	2.4396	2.4396	3.0037
H5	1.0909	2.1156	1.8003	1.8003		2.4396	3.0037	2.4396
H6	2.1293	1.0543	3.0037	2.4396	2.4396		1.7056	1.7056
H7	2.1293	1.0543	2.4396	2.4396	3.0037	1.7056		1.7056
H8	2.1293	1.0543	2.4396	3.0037	2.4396	1.7056	1.7056

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.929	C1	N2	H7	110.929
C1	N2	H8	110.929	N2	C1	H3	107.684
N2	C1	H4	107.684	N2	C1	H5	107.684
H3	C1	H4	111.198	H3	C1	H5	111.198
H4	C1	H5	111.198	H6	N2	H7	107.975
H6	N2	H8	107.975	H7	N2	H8	107.975

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-1.373
2	N	0.325
3	H	0.192
4	H	0.192
5	H	0.192
6	H	0.157
7	H	0.157
8	H	0.157

	x	y	z	Total
	0.000	0.000	-1.451	1.451
CHELPG
AIM
ESP

	x	y	z
x	41.477	0.000	0.000
y	0.000	41.321	0.045
z	0.000	0.045	21.717

<r²>	33.971
(<r²>)^1/2	5.828

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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