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	hartrees
Energy at 0K	-96.258998
Energy at 298.15K	-96.266015
HF Energy	-96.258998
Nuclear repulsion energy	47.122389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2982	2961	105.19
2	A₁	2679	2660	43.08
3	A₁	1297	1288	92.71
4	A₁	1179	1171	199.81
5	A₁	871	865	37.75
6	A₂	265	263	0.00
7	E	3073	3052	11.49
7	E	3073	3052	11.49
8	E	2297	2281	3507.93
8	E	2297	2281	3508.52
9	E	1414	1405	4.17
9	E	1414	1405	4.17
10	E	1282	1273	1.92
10	E	1282	1273	1.91
11	E	1152	1144	100.78
11	E	1152	1144	100.86
12	E	830	825	79.67
12	E	830	825	79.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.801
N2	0.000	0.000	0.709
H3	0.000	-1.044	-1.133
H4	-0.904	0.522	-1.133
H5	0.904	0.522	-1.133
H6	0.000	1.004	1.080
H7	-0.870	-0.502	1.080
H8	0.870	-0.502	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5102	1.0957	1.0957	1.0957	2.1326	2.1326	2.1326
N2	1.5102		2.1175	2.1175	2.1175	1.0706	1.0706	1.0706
H3	1.0957	2.1175		1.8087	1.8087	3.0157	2.4389	2.4389
H4	1.0957	2.1175	1.8087		1.8087	2.4389	2.4389	3.0157
H5	1.0957	2.1175	1.8087	1.8087		2.4389	3.0157	2.4389
H6	2.1326	1.0706	3.0157	2.4389	2.4389		1.7394	1.7394
H7	2.1326	1.0706	2.4389	2.4389	3.0157	1.7394		1.7394
H8	2.1326	1.0706	2.4389	3.0157	2.4389	1.7394	1.7394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.279	C1	N2	H7	110.279
C1	N2	H8	110.279	N2	C1	H3	107.627
N2	C1	H4	107.627	N2	C1	H5	107.627
H3	C1	H4	111.251	H3	C1	H5	111.251
H4	C1	H5	111.251	H6	N2	H7	108.652
H6	N2	H8	108.652	H7	N2	H8	108.652

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

using model chemistry: PBEPBE/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	-0.138
2	N	0.344
3	H	0.074
4	H	0.074
5	H	0.074
6	H	-0.143
7	H	-0.143
8	H	-0.143

	x	y	z
x	14.997	0.000	0.000
y	0.000	15.000	-0.002
z	0.000	-0.002	9.618

<r²>	32.586
(<r²>)^1/2	5.708

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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