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	hartrees
Energy at 0K	-96.209243
Energy at 298.15K	-96.216135
HF Energy	-96.209243
Nuclear repulsion energy	46.688814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2970	2953	107.17
2	A₁	2482	2468	107.05
3	A₁	1243	1235	154.81
4	A₁	1092	1086	62.60
5	A₁	841	837	46.51
6	A₂	270	269	0.00
7	E	3078	3061	19.91
7	E	3078	3061	19.92
8	E	1845	1834	3453.66
8	E	1845	1834	3454.39
9	E	1376	1368	35.62
9	E	1376	1368	35.61
10	E	1190	1183	2.29
10	E	1190	1183	2.29
11	E	928	922	824.14
11	E	928	922	823.92
12	E	816	811	53.65
12	E	816	811	53.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.801
N2	0.000	0.000	0.711
H3	0.000	-1.055	-1.134
H4	-0.914	0.528	-1.134
H5	0.914	0.528	-1.134
H6	0.000	1.033	1.078
H7	-0.895	-0.517	1.078
H8	0.895	-0.517	1.078

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5120	1.1066	1.1066	1.1066	2.1441	2.1441	2.1441
N2	1.5120		2.1254	2.1254	2.1254	1.0965	1.0965	1.0965
H3	1.1066	2.1254		1.8279	1.8279	3.0420	2.4459	2.4459
H4	1.1066	2.1254	1.8279		1.8279	2.4459	2.4459	3.0420
H5	1.1066	2.1254	1.8279	1.8279		2.4459	3.0420	2.4459
H6	2.1441	1.0965	3.0420	2.4459	2.4459		1.7897	1.7897
H7	2.1441	1.0965	2.4459	2.4459	3.0420	1.7897		1.7897
H8	2.1441	1.0965	2.4459	3.0420	2.4459	1.7897	1.7897

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.543	C1	N2	H7	109.543
C1	N2	H8	109.543	N2	C1	H3	107.511
N2	C1	H4	107.511	N2	C1	H5	107.511
H3	C1	H4	111.358	H3	C1	H5	111.358
H4	C1	H5	111.358	H6	N2	H7	109.399
H6	N2	H8	109.399	H7	N2	H8	109.399

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.016
2	N	0.185
3	H	0.036
4	H	0.036
5	H	0.036
6	H	-0.092
7	H	-0.092
8	H	-0.092

<r²>	32.102
(<r²>)^1/2	5.666

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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