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	hartrees
Energy at 0K	-96.075150
Energy at 298.15K	-96.082140
HF Energy	-95.648772
Nuclear repulsion energy	47.207901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3127	2962	28.15
2	A₁	2590	2453	62.46
3	A₁	1362	1290	89.15
4	A₁	1149	1089	19.44
5	A₁	884	837	37.70
6	A₂	291	276	0.00
7	E	3230	3060	8.73
7	E	3230	3060	8.71
8	E	2035	1927	1663.16
8	E	2035	1927	1663.20
9	E	1513	1433	12.73
9	E	1513	1433	12.72
10	E	1244	1179	3.75
10	E	1244	1179	3.77
11	E	917	869	451.88
11	E	917	869	451.93
12	E	871	825	25.62
12	E	871	825	25.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.792
N2	0.000	0.000	0.709
H3	0.000	-1.035	-1.127
H4	-0.896	0.518	-1.127
H5	0.896	0.518	-1.127
H6	0.000	1.027	1.057
H7	-0.890	-0.514	1.057
H8	0.890	-0.514	1.057

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5010	1.0878	1.0878	1.0878	2.1149	2.1149	2.1149
N2	1.5010		2.1076	2.1076	2.1076	1.0845	1.0845	1.0845
H3	1.0878	2.1076		1.7927	1.7927	3.0034	2.4147	2.4147
H4	1.0878	2.1076	1.7927		1.7927	2.4147	2.4147	3.0034
H5	1.0878	2.1076	1.7927	1.7927		2.4147	3.0034	2.4147
H6	2.1149	1.0845	3.0034	2.4147	2.4147		1.7793	1.7793
H7	2.1149	1.0845	2.4147	2.4147	3.0034	1.7793		1.7793
H8	2.1149	1.0845	2.4147	3.0034	2.4147	1.7793	1.7793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.694	C1	N2	H7	108.694
C1	N2	H8	108.694	N2	C1	H3	107.929
N2	C1	H4	107.929	N2	C1	H5	107.929
H3	C1	H4	110.968	H3	C1	H5	110.968
H4	C1	H5	110.968	H6	N2	H7	110.237
H6	N2	H8	110.237	H7	N2	H8	110.237

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

using model chemistry: CCD/6-31G(2df,p)

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

using model chemistry: CCD/6-31G(2df,p)

States and conformations

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