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	hartrees
Energy at 0K	-96.244725
Energy at 298.15K	-96.250985
HF Energy	-96.244725
Nuclear repulsion energy	45.990202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3018	3018	57.93
2	A₁	2305	2305	104.61
3	A₁	1286	1286	154.09
4	A₁	1073	1073	18.02
5	A₁	597	597	0.00
6	A₂	233	233	0.00
7	E	3133	3133	25.76
7	E	3133	3133	25.79
8	E	1501	1501	1530.85
8	E	1501	1501	1531.23
9	E	1468	1468	462.07
9	E	1468	1468	463.22
10	E	1143	1143	5.76
10	E	1143	1143	5.77
11	E	819	819	26.09
11	E	819	819	26.10
12	E	460	460	2720.05
12	E	460	460	2722.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.828
N2	0.000	0.000	0.732
H3	0.000	-1.047	-1.147
H4	-0.907	0.524	-1.147
H5	0.907	0.524	-1.147
H6	0.000	1.052	1.094
H7	-0.911	-0.526	1.094
H8	0.911	-0.526	1.094

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5600	1.0950	1.0950	1.0950	2.1911	2.1911	2.1911
N2	1.5600		2.1518	2.1518	2.1518	1.1127	1.1127	1.1127
H3	1.0950	2.1518		1.8140	1.8140	3.0713	2.4753	2.4753
H4	1.0950	2.1518	1.8140		1.8140	2.4753	2.4753	3.0713
H5	1.0950	2.1518	1.8140	1.8140		2.4753	3.0713	2.4753
H6	2.1911	1.1127	3.0713	2.4753	2.4753		1.8224	1.8224
H7	2.1911	1.1127	2.4753	2.4753	3.0713	1.8224		1.8224
H8	2.1911	1.1127	2.4753	3.0713	2.4753	1.8224	1.8224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.985	C1	N2	H7	108.985
C1	N2	H8	108.985	N2	C1	H3	106.977
N2	C1	H4	106.977	N2	C1	H5	106.977
H3	C1	H4	111.846	H3	C1	H5	111.846
H4	C1	H5	111.846	H6	N2	H7	109.953
H6	N2	H8	109.953	H7	N2	H8	109.953

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

using model chemistry: B97D3/6-31G

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	-0.329
2	N	-0.366
3	H	0.160
4	H	0.160
5	H	0.160
6	H	0.072
7	H	0.072
8	H	0.072

	x	y	z	Total
	0.000	0.000	-1.072	1.072
CHELPG
AIM
ESP

	x	y	z
x	8.109	0.000	0.000
y	0.000	8.103	-0.000
z	0.000	-0.000	5.498

<r²>	32.465
(<r²>)^1/2	5.698

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

using model chemistry: B97D3/6-31G

States and conformations

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