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	hartrees
Energy at 0K	-96.328851
Energy at 298.15K	-96.335998
HF Energy	-96.181245
Nuclear repulsion energy	47.736156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3092	2967	68.24
2	A₁	3033	2910	59.47
3	A₁	1421	1363	0.50
4	A₁	1383	1327	611.72
5	A₁	941	903	52.42
6	A₂	273	262	0.00
7	E	3186	3057	0.38
7	E	3186	3057	0.38
8	E	2953	2833	2612.72
8	E	2953	2833	2614.31
9	E	1520	1458	139.22
9	E	1520	1458	139.24
10	E	1500	1439	12.63
10	E	1500	1439	12.56
11	E	1256	1205	0.31
11	E	1256	1205	0.31
12	E	891	854	85.86
12	E	891	854	85.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.704
H3	0.000	-1.031	-1.132
H4	-0.892	0.515	-1.132
H5	0.892	0.515	-1.132
H6	0.000	0.970	1.082
H7	-0.840	-0.485	1.082
H8	0.840	-0.485	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5005	1.0839	1.0839	1.0839	2.1139	2.1139	2.1139
N2	1.5005		2.1056	2.1056	2.1056	1.0406	1.0406	1.0406
H3	1.0839	2.1056		1.7850	1.7850	2.9838	2.4301	2.4301
H4	1.0839	2.1056	1.7850		1.7850	2.4301	2.4301	2.9838
H5	1.0839	2.1056	1.7850	1.7850		2.4301	2.9838	2.4301
H6	2.1139	1.0406	2.9838	2.4301	2.4301		1.6792	1.6792
H7	2.1139	1.0406	2.4301	2.4301	2.9838	1.6792		1.6792
H8	2.1139	1.0406	2.4301	2.9838	2.4301	1.6792	1.6792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.301	C1	N2	H7	111.301
C1	N2	H8	111.301	N2	C1	H3	108.042
N2	C1	H4	108.042	N2	C1	H5	108.042
H3	C1	H4	110.862	H3	C1	H5	110.862
H4	C1	H5	110.862	H6	N2	H7	107.582
H6	N2	H8	107.582	H7	N2	H8	107.582

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH3NH3 (methyl ammonium radical)

using model chemistry: B2PLYP=FULL/aug-cc-pVTZ

States and conformations

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