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	hartrees
Energy at 0K	-96.246773
Energy at 298.15K	-96.253772
HF Energy	-96.246773
Nuclear repulsion energy	46.958307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2978	2951	114.18
2	A₁	2624	2600	62.82
3	A₁	1287	1275	131.41
4	A₁	1171	1161	155.83
5	A₁	857	849	41.10
6	A₂	267	264	0.00
7	E	3075	3047	18.18
7	E	3075	3047	18.19
8	E	2146	2127	3861.75
8	E	2146	2127	3862.20
9	E	1415	1402	11.93
9	E	1415	1402	11.93
10	E	1266	1254	4.81
10	E	1266	1254	4.82
11	E	1121	1111	204.67
11	E	1121	1111	204.60
12	E	829	821	78.55
12	E	829	821	78.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.803
N2	0.000	0.000	0.711
H3	0.000	-1.046	-1.134
H4	-0.906	0.523	-1.134
H5	0.906	0.523	-1.134
H6	0.000	1.013	1.081
H7	-0.877	-0.507	1.081
H8	0.877	-0.507	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5136	1.0977	1.0977	1.0977	2.1393	2.1393	2.1393
N2	1.5136		2.1211	2.1211	2.1211	1.0789	1.0789	1.0789
H3	1.0977	2.1211		1.8125	1.8125	3.0251	2.4434	2.4434
H4	1.0977	2.1211	1.8125		1.8125	2.4434	2.4434	3.0251
H5	1.0977	2.1211	1.8125	1.8125		2.4434	3.0251	2.4434
H6	2.1393	1.0789	3.0251	2.4434	2.4434		1.7549	1.7549
H7	2.1393	1.0789	2.4434	2.4434	3.0251	1.7549		1.7549
H8	2.1393	1.0789	2.4434	3.0251	2.4434	1.7549	1.7549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.091	C1	N2	H7	110.091
C1	N2	H8	110.091	N2	C1	H3	107.574
N2	C1	H4	107.574	N2	C1	H5	107.574
H3	C1	H4	111.300	H3	C1	H5	111.300
H4	C1	H5	111.300	H6	N2	H7	108.844
H6	N2	H8	108.844	H7	N2	H8	108.844

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

using model chemistry: PBEPBE/6-311G**

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	-0.205
2	N	-0.123
3	H	0.119
4	H	0.119
5	H	0.119
6	H	-0.010
7	H	-0.010
8	H	-0.010

	x	y	z
x	13.562	0.000	0.000
y	0.000	13.564	-0.001
z	0.000	-0.001	8.800

<r²>	32.441
(<r²>)^1/2	5.696

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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