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	hartrees
Energy at 0K	-96.379436
Energy at 298.15K	-96.386601
HF Energy	-96.379436
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	3093	43.70
2	A₁	3054	3054	253.18
3	A₁	1416	1416	0.17
4	A₁	1379	1379	825.74
5	A₁	967	967	56.86
6	A₂	286	286	0.00
7	E	3191	3191	2.28
7	E	3191	3191	2.28
8	E	2933	2933	4465.63
8	E	2933	2933	4461.25
9	E	1510	1510	310.19
9	E	1510	1510	310.57
10	E	1493	1493	14.57
10	E	1493	1493	14.50
11	E	1248	1248	0.48
11	E	1248	1248	0.47
12	E	894	894	133.25
12	E	894	894	133.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.793
N2	0.000	0.000	0.701
H3	0.000	-1.030	-1.134
H4	-0.892	0.515	-1.134
H5	0.892	0.515	-1.134
H6	0.000	0.967	1.084
H7	-0.838	-0.484	1.084
H8	0.838	-0.484	1.084

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4934	1.0853	1.0853	1.0853	2.1116	2.1116	2.1116
N2	1.4934		2.1042	2.1042	2.1042	1.0404	1.0404	1.0404
H3	1.0853	2.1042		1.7844	1.7844	2.9851	2.4335	2.4335
H4	1.0853	2.1042	1.7844		1.7844	2.4335	2.4335	2.9851
H5	1.0853	2.1042	1.7844	1.7844		2.4335	2.9851	2.4335
H6	2.1116	1.0404	2.9851	2.4335	2.4335		1.6751	1.6751
H7	2.1116	1.0404	2.4335	2.4335	2.9851	1.6751		1.6751
H8	2.1116	1.0404	2.4335	2.9851	2.4335	1.6751	1.6751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.639	C1	N2	H7	111.639
C1	N2	H8	111.639	N2	C1	H3	108.330
N2	C1	H4	108.330	N2	C1	H5	108.330
H3	C1	H4	110.588	H3	C1	H5	110.588
H4	C1	H5	110.588	H6	N2	H7	107.219
H6	N2	H8	107.219	H7	N2	H8	107.219

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

using model chemistry: wB97X-D/aug-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	-0.029
2	N	-0.619
3	H	0.154
4	H	0.154
5	H	0.154
6	H	0.062
7	H	0.062
8	H	0.062

	x	y	z	Total
	0.000	0.000	-3.236	3.236
CHELPG
AIM
ESP

	x	y	z
x	52.536	0.000	0.000
y	0.000	52.531	-0.007
z	0.000	-0.007	29.522

<r²>	35.747
(<r²>)^1/2	5.979

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

using model chemistry: wB97X-D/aug-cc-pVQZ

States and conformations

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