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	hartrees
Energy at 0K	-96.317308
Energy at 298.15K	-96.324377
HF Energy	-96.317308
Nuclear repulsion energy	47.202286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3013	3013	147.68
2	A₁	2780	2780	304.40
3	A₁	1334	1334	47.31
4	A₁	1234	1234	1588.75
5	A₁	865	865	176.68
6	A₂	275	275	0.00
7	E	3120	3120	0.41
7	E	3120	3120	0.40
8	E	2607	2607	5780.71
8	E	2607	2607	5800.89
9	E	1425	1425	19.26
9	E	1425	1425	19.56
10	E	1370	1370	239.45
10	E	1370	1370	240.28
11	E	1184	1184	4.66
11	E	1184	1184	4.50
12	E	855	855	206.00
12	E	855	855	206.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.805
N2	0.000	0.000	0.710
H3	0.000	-1.046	-1.138
H4	-0.906	0.523	-1.138
H5	0.906	0.523	-1.138
H6	0.000	0.984	1.091
H7	-0.853	-0.492	1.091
H8	0.853	-0.492	1.091

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5143	1.0977	1.0977	1.0977	2.1362	2.1362	2.1362
N2	1.5143		2.1232	2.1232	2.1232	1.0558	1.0558	1.0558
H3	1.0977	2.1232		1.8115	1.8115	3.0153	2.4501	2.4501
H4	1.0977	2.1232	1.8115		1.8115	2.4501	2.4501	3.0153
H5	1.0977	2.1232	1.8115	1.8115		2.4501	3.0153	2.4501
H6	2.1362	1.0558	3.0153	2.4501	2.4501		1.7051	1.7051
H7	2.1362	1.0558	2.4501	2.4501	3.0153	1.7051		1.7051
H8	2.1362	1.0558	2.4501	3.0153	2.4501	1.7051	1.7051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.186	C1	N2	H7	111.186
C1	N2	H8	111.186	N2	C1	H3	107.683
N2	C1	H4	107.683	N2	C1	H5	107.683
H3	C1	H4	111.199	H3	C1	H5	111.199
H4	C1	H5	111.199	H6	N2	H7	107.703
H6	N2	H8	107.703	H7	N2	H8	107.703

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

using model chemistry: B97D3/aug-cc-pVDZ

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	1.484
2	N	-0.126
3	H	-0.262
4	H	-0.262
5	H	-0.262
6	H	-0.191
7	H	-0.191
8	H	-0.191

	x	y	z
x	62.985	0.000	0.000
y	0.000	63.089	-0.092
z	0.000	-0.092	34.094

<r²>	35.547
(<r²>)^1/2	5.962

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

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