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	hartrees
Energy at 0K	-96.222021
Energy at 298.15K	-96.229229
HF Energy	-95.736841
Nuclear repulsion energy	47.925717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3106	3106	38.81
2	A₁	3097	3097	21.82
3	A₁	1438	1438	9.85
4	A₁	1379	1379	610.16
5	A₁	989	989	55.40
6	A₂	309	309	0.00
7	E	3203	3203	12.09
7	E	3203	3203	12.09
8	E	3048	3048	1320.65
8	E	3048	3048	1320.65
9	E	1550	1550	143.81
9	E	1550	1550	143.81
10	E	1516	1516	6.71
10	E	1516	1516	6.71
11	E	1273	1273	3.53
11	E	1273	1273	3.53
12	E	897	897	108.83
12	E	897	897	108.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.790
N2	0.000	0.000	0.699
H3	0.000	-1.030	-1.130
H4	-0.892	0.515	-1.130
H5	0.892	0.515	-1.130
H6	0.000	0.966	1.078
H7	-0.836	-0.483	1.078
H8	0.836	-0.483	1.078

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4890	1.0848	1.0848	1.0848	2.1026	2.1026	2.1026
N2	1.4890		2.0990	2.0990	2.0990	1.0374	1.0374	1.0374
H3	1.0848	2.0990		1.7845	1.7845	2.9760	2.4231	2.4231
H4	1.0848	2.0990	1.7845		1.7845	2.4231	2.4231	2.9760
H5	1.0848	2.0990	1.7845	1.7845		2.4231	2.9760	2.4231
H6	2.1026	1.0374	2.9760	2.4231	2.4231		1.6728	1.6728
H7	2.1026	1.0374	2.4231	2.4231	2.9760	1.6728		1.6729
H8	2.1026	1.0374	2.4231	2.9760	2.4231	1.6728	1.6729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.405	C1	N2	H7	111.405
C1	N2	H8	111.405	N2	C1	H3	108.246
N2	C1	H4	108.246	N2	C1	H5	108.246
H3	C1	H4	110.668	H3	C1	H5	110.668
H4	C1	H5	110.668	H6	N2	H7	107.470
H6	N2	H8	107.470	H7	N2	H8	107.470

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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: CCSD=FULL/6-311+G(3df,2p)

States and conformations

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