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	hartrees
Energy at 0K	-96.340582
Energy at 298.15K	-96.347642
HF Energy	-96.340582
Nuclear repulsion energy	47.230036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2992	2992	135.48
2	A₁	2665	2665	0.24
3	A₁	1327	1327	64.07
4	A₁	1198	1198	372.73
5	A₁	850	850	44.17
6	A₂	291	291	0.00
7	E	3088	3088	8.03
7	E	3088	3088	8.04
8	E	2290	2290	6049.17
8	E	2290	2290	6037.24
9	E	1437	1437	0.01
9	E	1437	1437	0.01
10	E	1298	1298	0.43
10	E	1298	1298	0.45
11	E	1166	1166	125.31
11	E	1166	1166	125.03
12	E	845	845	137.68
12	E	845	845	137.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.803
N2	0.000	0.000	0.710
H3	0.000	-1.040	-1.132
H4	-0.901	0.520	-1.132
H5	0.901	0.520	-1.132
H6	0.000	0.996	1.082
H7	-0.863	-0.498	1.082
H8	0.863	-0.498	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5128	1.0909	1.0909	1.0909	2.1316	2.1316	2.1316
N2	1.5128		2.1151	2.1151	2.1151	1.0632	1.0632	1.0632
H3	1.0909	2.1151		1.8015	1.8015	3.0076	2.4367	2.4367
H4	1.0909	2.1151	1.8015		1.8015	2.4367	2.4367	3.0076
H5	1.0909	2.1151	1.8015	1.8015		2.4367	3.0076	2.4367
H6	2.1316	1.0632	3.0076	2.4367	2.4367		1.7252	1.7252
H7	2.1316	1.0632	2.4367	2.4367	3.0076	1.7252		1.7252
H8	2.1316	1.0632	2.4367	3.0076	2.4367	1.7252	1.7252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.469	C1	N2	H7	110.469
C1	N2	H8	110.469	N2	C1	H3	107.546
N2	C1	H4	107.546	N2	C1	H5	107.546
H3	C1	H4	111.326	H3	C1	H5	111.326
H4	C1	H5	111.326	H6	N2	H7	108.455
H6	N2	H8	108.455	H7	N2	H8	108.455

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

using model chemistry: B97D3/cc-pVQZ

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	-0.127
2	N	0.199
3	H	0.109
4	H	0.109
5	H	0.109
6	H	-0.133
7	H	-0.133
8	H	-0.133

	x	y	z
x	24.555	0.000	0.000
y	0.000	24.609	0.011
z	0.000	0.011	11.530

<r²>	33.023
(<r²>)^1/2	5.747

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

using model chemistry: B97D3/cc-pVQZ

States and conformations

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