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	hartrees
Energy at 0K	-96.395852
Energy at 298.15K	-96.402954
HF Energy	-96.395852
Nuclear repulsion energy	47.413481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3052	2951	89.77
2	A₁	2794	2701	44.77
3	A₁	1365	1320	69.51
4	A₁	1258	1216	204.93
5	A₁	894	864	35.91
6	A₂	280	270	0.00
7	E	3139	3035	7.83
7	E	3139	3035	7.83
8	E	2442	2361	3202.99
8	E	2442	2361	3203.13
9	E	1475	1426	2.06
9	E	1475	1426	2.06
10	E	1374	1328	0.07
10	E	1374	1328	0.07
11	E	1213	1172	57.78
11	E	1213	1172	57.77
12	E	868	839	74.47
12	E	868	839	74.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.799
N2	0.000	0.000	0.707
H3	0.000	-1.035	-1.131
H4	-0.896	0.517	-1.131
H5	0.896	0.517	-1.131
H6	0.000	0.991	1.080
H7	-0.858	-0.496	1.080
H8	0.858	-0.496	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5060	1.0868	1.0868	1.0868	2.1243	2.1243	2.1243
N2	1.5060		2.1093	2.1093	2.1093	1.0590	1.0590	1.0590
H3	1.0868	2.1093		1.7924	1.7924	2.9988	2.4321	2.4321
H4	1.0868	2.1093	1.7924		1.7924	2.4321	2.4321	2.9988
H5	1.0868	2.1093	1.7924	1.7924		2.4321	2.9988	2.4321
H6	2.1243	1.0590	2.9988	2.4321	2.4321		1.7169	1.7169
H7	2.1243	1.0590	2.4321	2.4321	2.9988	1.7169		1.7169
H8	2.1243	1.0590	2.4321	2.9988	2.4321	1.7169	1.7169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.610	C1	N2	H7	110.610
C1	N2	H8	110.610	N2	C1	H3	107.786
N2	C1	H4	107.786	N2	C1	H5	107.786
H3	C1	H4	111.103	H3	C1	H5	111.103
H4	C1	H5	111.103	H6	N2	H7	108.309
H6	N2	H8	108.309	H7	N2	H8	108.309

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	C	-0.109
2	N	0.371
3	H	0.070
4	H	0.070
5	H	0.070
6	H	-0.158
7	H	-0.158
8	H	-0.158

	x	y	z
x	14.281	0.000	0.000
y	0.000	14.280	-0.000
z	0.000	-0.000	9.456

<r²>	32.448
(<r²>)^1/2	5.696

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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