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	hartrees
Energy at 0K	-96.345697
Energy at 298.15K	-96.352753
HF Energy	-96.345697
Nuclear repulsion energy	47.349966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3010	2964	145.22
2	A₁	2803	2761	292.57
3	A₁	1356	1335	14.74
4	A₁	1255	1235	1623.30
5	A₁	858	844	152.32
6	A₂	260	256	0.00
7	E	3106	3058	0.82
7	E	3106	3058	0.81
8	E	2615	2575	5548.88
8	E	2615	2575	5563.78
9	E	1449	1427	30.22
9	E	1449	1427	30.47
10	E	1386	1365	211.71
10	E	1386	1365	212.64
11	E	1198	1180	3.95
11	E	1198	1180	3.75
12	E	856	843	197.58
12	E	856	843	198.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.804
N2	0.000	0.000	0.710
H3	0.000	-1.038	-1.136
H4	-0.899	0.519	-1.136
H5	0.899	0.519	-1.136
H6	0.000	0.982	1.087
H7	-0.850	-0.491	1.087
H8	0.850	-0.491	1.087

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5134	1.0904	1.0904	1.0904	2.1306	2.1306	2.1306
N2	1.5134		2.1182	2.1182	2.1182	1.0517	1.0517	1.0517
H3	1.0904	2.1182		1.7985	1.7985	3.0042	2.4429	2.4429
H4	1.0904	2.1182	1.7985		1.7985	2.4429	2.4429	3.0042
H5	1.0904	2.1182	1.7985	1.7985		2.4429	3.0042	2.4429
H6	2.1306	1.0517	3.0042	2.4429	2.4429		1.7001	1.7001
H7	2.1306	1.0517	2.4429	2.4429	3.0042	1.7001		1.7001
H8	2.1306	1.0517	2.4429	3.0042	2.4429	1.7001	1.7001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.042	C1	N2	H7	111.042
C1	N2	H8	111.042	N2	C1	H3	107.775
N2	C1	H4	107.775	N2	C1	H5	107.775
H3	C1	H4	111.113	H3	C1	H5	111.113
H4	C1	H5	111.113	H6	N2	H7	107.855
H6	N2	H8	107.855	H7	N2	H8	107.855

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

using model chemistry: B97D3/aug-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	0.102
2	N	-0.516
3	H	0.220
4	H	0.220
5	H	0.220
6	H	-0.082
7	H	-0.082
8	H	-0.082

	x	y	z
x	63.596	0.000	0.000
y	0.000	63.680	-0.077
z	0.000	-0.077	34.505

<r²>	35.648
(<r²>)^1/2	5.971

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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