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	hartrees
Energy at 0K	-95.881975
Energy at 298.15K	-95.889066
HF Energy	-95.881975
Nuclear repulsion energy	47.524026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2995	2962	87.08
2	A₁	2878	2845	21.45
3	A₁	1304	1289	44.00
4	A₁	1257	1243	508.74
5	A₁	982	971	76.98
6	A₂	283	280	0.00
7	E	3102	3067	2.22
7	E	3102	3067	2.22
8	E	2750	2719	2187.87
8	E	2750	2719	2189.14
9	E	1382	1367	17.32
9	E	1382	1367	17.35
10	E	1358	1342	62.10
10	E	1358	1342	62.08
11	E	1176	1162	0.49
11	E	1176	1162	0.49
12	E	840	831	86.31
12	E	840	831	86.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.786
N2	0.000	0.000	0.696
H3	0.000	-1.048	-1.132
H4	-0.908	0.524	-1.132
H5	0.908	0.524	-1.132
H6	0.000	0.989	1.081
H7	-0.856	-0.494	1.081
H8	0.856	-0.494	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4813	1.1040	1.1040	1.1040	2.1119	2.1119	2.1119
N2	1.4813		2.1069	2.1069	2.1069	1.0609	1.0609	1.0609
H3	1.1040	2.1069		1.8156	1.8156	3.0074	2.4363	2.4363
H4	1.1040	2.1069	1.8156		1.8157	2.4363	2.4363	3.0074
H5	1.1040	2.1069	1.8156	1.8157		2.4363	3.0074	2.4363
H6	2.1119	1.0609	3.0074	2.4363	2.4363		1.7122	1.7122
H7	2.1119	1.0609	2.4363	2.4363	3.0074	1.7122		1.7122
H8	2.1119	1.0609	2.4363	3.0074	2.4363	1.7122	1.7122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.277	C1	N2	H7	111.277
C1	N2	H8	111.277	N2	C1	H3	108.282
N2	C1	H4	108.282	N2	C1	H5	108.282
H3	C1	H4	110.634	H3	C1	H5	110.634
H4	C1	H5	110.634	H6	N2	H7	107.606
H6	N2	H8	107.606	H7	N2	H8	107.606

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

using model chemistry: LSDA/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	0.913
2	N	0.041
3	H	-0.208
4	H	-0.208
5	H	-0.208
6	H	-0.110
7	H	-0.110
8	H	-0.110

	x	y	z
x	37.025	0.000	0.000
y	0.000	37.010	-0.000
z	0.000	-0.000	23.583

<r²>	34.858
(<r²>)^1/2	5.904

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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