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	hartrees
Energy at 0K	-96.285087
Energy at 298.15K	-96.291987
HF Energy	-96.285087
Nuclear repulsion energy	46.436297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2957	2962	109.03
2	A₁	2447	2451	115.09
3	A₁	1250	1252	141.89
4	A₁	1105	1107	64.85
5	A₁	785	787	33.45
6	A₂	266	266	0.00
7	E	3056	3061	24.05
7	E	3056	3061	24.05
8	E	1885	1888	2647.24
8	E	1885	1888	2647.86
9	E	1386	1389	24.90
9	E	1386	1389	24.89
10	E	1197	1199	0.39
10	E	1197	1199	0.39
11	E	980	981	545.60
11	E	980	981	545.42
12	E	823	825	17.84
12	E	823	825	17.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.811
N2	0.000	0.000	0.718
H3	0.000	-1.056	-1.141
H4	-0.914	0.528	-1.141
H5	0.914	0.528	-1.141
H6	0.000	1.033	1.089
H7	-0.895	-0.517	1.089
H8	0.895	-0.517	1.089

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5293	1.1060	1.1060	1.1060	2.1629	2.1629	2.1629
N2	1.5293		2.1374	2.1374	2.1374	1.0977	1.0977	1.0977
H3	1.1060	2.1374		1.8290	1.8290	3.0552	2.4619	2.4619
H4	1.1060	2.1374	1.8290		1.8290	2.4619	2.4619	3.0552
H5	1.1060	2.1374	1.8290	1.8290		2.4619	3.0552	2.4619
H6	2.1629	1.0977	3.0552	2.4619	2.4619		1.7895	1.7895
H7	2.1629	1.0977	2.4619	2.4619	3.0552	1.7895		1.7895
H8	2.1629	1.0977	2.4619	3.0552	2.4619	1.7895	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.753	C1	N2	H7	109.753
C1	N2	H8	109.753	N2	C1	H3	107.307
N2	C1	H4	107.307	N2	C1	H5	107.307
H3	C1	H4	111.546	H3	C1	H5	111.546
H4	C1	H5	111.546	H6	N2	H7	109.188
H6	N2	H8	109.188	H7	N2	H8	109.188

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

using model chemistry: BLYP/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	0.051
2	N	0.219
3	H	0.013
4	H	0.013
5	H	0.013
6	H	-0.103
7	H	-0.103
8	H	-0.103

<r²>	32.439
(<r²>)^1/2	5.695

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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