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	hartrees
Energy at 0K	-96.288821
Energy at 298.15K	-96.295969
HF Energy	-96.288821
Nuclear repulsion energy	47.822639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2961	73.95
2	A₁	3040	2923	95.89
3	A₁	1404	1350	0.22
4	A₁	1363	1311	861.83
5	A₁	970	933	70.17
6	A₂	277	266	0.00
7	E	3178	3055	0.66
7	E	3178	3055	0.68
8	E	2932	2820	3750.04
8	E	2932	2819	3754.20
9	E	1495	1438	214.00
9	E	1495	1438	213.87
10	E	1472	1415	28.49
10	E	1472	1415	28.47
11	E	1247	1199	0.15
11	E	1247	1199	0.15
12	E	885	851	143.03
12	E	885	851	142.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.791
N2	0.000	0.000	0.700
H3	0.000	-1.033	-1.131
H4	-0.894	0.516	-1.131
H5	0.894	0.516	-1.131
H6	0.000	0.970	1.079
H7	-0.840	-0.485	1.079
H8	0.840	-0.485	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4908	1.0874	1.0874	1.0874	2.1062	2.1062	2.1062
N2	1.4908		2.1025	2.1025	2.1025	1.0412	1.0412	1.0412
H3	1.0874	2.1025		1.7887	1.7887	2.9825	2.4271	2.4271
H4	1.0874	2.1025	1.7887		1.7887	2.4271	2.4271	2.9825
H5	1.0874	2.1025	1.7887	1.7887		2.4271	2.9825	2.4271
H6	2.1062	1.0412	2.9825	2.4271	2.4271		1.6797	1.6797
H7	2.1062	1.0412	2.4271	2.4271	2.9825	1.6797		1.6797
H8	2.1062	1.0412	2.4271	2.9825	2.4271	1.6797	1.6797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.339	C1	N2	H7	111.339
C1	N2	H8	111.339	N2	C1	H3	108.255
N2	C1	H4	108.255	N2	C1	H5	108.255
H3	C1	H4	110.660	H3	C1	H5	110.660
H4	C1	H5	110.660	H6	N2	H7	107.541
H6	N2	H8	107.541	H7	N2	H8	107.541

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

using model chemistry: PBE1PBE/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	-0.444
2	N	-0.044
3	H	0.289
4	H	0.289
5	H	0.289
6	H	-0.126
7	H	-0.126
8	H	-0.126

	x	y	z
x	52.839	0.000	0.000
y	0.000	52.815	-0.009
z	0.000	-0.009	30.330

<r²>	35.453
(<r²>)^1/2	5.954

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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