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	hartrees
Energy at 0K	-95.915337
Energy at 298.15K	-95.922424
HF Energy	-95.915337
Nuclear repulsion energy	47.692106

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2986	2958	85.06
2	A₁	2896	2869	26.93
3	A₁	1325	1312	9.49
4	A₁	1276	1264	557.66
5	A₁	975	966	67.53
6	A₂	273	271	0.00
7	E	3083	3054	1.80
7	E	3083	3054	1.80
8	E	2756	2730	2159.11
8	E	2756	2730	2160.63
9	E	1405	1392	26.59
9	E	1405	1392	26.66
10	E	1376	1363	63.38
10	E	1376	1363	63.25
11	E	1190	1178	0.30
11	E	1190	1178	0.31
12	E	843	835	90.20
12	E	843	835	90.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.784
N2	0.000	0.000	0.695
H3	0.000	-1.040	-1.130
H4	-0.901	0.520	-1.130
H5	0.901	0.520	-1.130
H6	0.000	0.986	1.076
H7	-0.854	-0.493	1.076
H8	0.854	-0.493	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4787	1.0965	1.0965	1.0965	2.1052	2.1052	2.1052
N2	1.4787		2.1007	2.1007	2.1007	1.0571	1.0571	1.0571
H3	1.0965	2.1007		1.8020	1.8020	2.9957	2.4283	2.4283
H4	1.0965	2.1007	1.8020		1.8020	2.4283	2.4283	2.9957
H5	1.0965	2.1007	1.8020	1.8020		2.4283	2.9957	2.4283
H6	2.1052	1.0571	2.9957	2.4283	2.4283		1.7077	1.7077
H7	2.1052	1.0571	2.4283	2.4283	2.9957	1.7077		1.7077
H8	2.1052	1.0571	2.4283	2.9957	2.4283	1.7077	1.7077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.148	C1	N2	H7	111.148
C1	N2	H8	111.148	N2	C1	H3	108.410
N2	C1	H4	108.410	N2	C1	H5	108.410
H3	C1	H4	110.511	H3	C1	H5	110.511
H4	C1	H5	110.511	H6	N2	H7	107.744
H6	N2	H8	107.744	H7	N2	H8	107.744

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

using model chemistry: LSDA/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	-0.424
2	N	-0.002
3	H	0.225
4	H	0.225
5	H	0.225
6	H	-0.083
7	H	-0.083
8	H	-0.083

	x	y	z
x	38.488	0.000	0.000
y	0.000	38.470	-0.005
z	0.000	-0.005	24.362

<r²>	34.756
(<r²>)^1/2	5.895

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

using model chemistry: LSDA/aug-cc-pVTZ

States and conformations

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