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	hartrees
Energy at 0K	-96.327337
Energy at 298.15K	-96.334322
HF Energy	-96.327337
Nuclear repulsion energy	46.975232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2999	2956	113.35
2	A₁	2590	2553	2.10
3	A₁	1310	1291	82.32
4	A₁	1166	1150	271.32
5	A₁	798	787	41.30
6	A₂	266	262	0.00
7	E	3096	3052	10.85
7	E	3096	3052	10.86
8	E	2113	2083	5355.17
8	E	2113	2083	5360.13
9	E	1443	1422	3.11
9	E	1443	1422	3.12
10	E	1254	1236	8.22
10	E	1254	1236	8.19
11	E	1116	1100	302.98
11	E	1116	1100	302.77
12	E	837	825	74.22
12	E	837	825	74.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.808
N2	0.000	0.000	0.714
H3	0.000	-1.042	-1.136
H4	-0.902	0.521	-1.136
H5	0.902	0.521	-1.136
H6	0.000	1.006	1.086
H7	-0.871	-0.503	1.086
H8	0.871	-0.503	1.086

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5212	1.0925	1.0925	1.0925	2.1445	2.1445	2.1445
N2	1.5212		2.1231	2.1231	2.1231	1.0730	1.0730	1.0730
H3	1.0925	2.1231		1.8046	1.8046	3.0222	2.4472	2.4472
H4	1.0925	2.1231	1.8046		1.8046	2.4472	2.4472	3.0222
H5	1.0925	2.1231	1.8046	1.8046		2.4472	3.0222	2.4472
H6	2.1445	1.0730	3.0222	2.4472	2.4472		1.7429	1.7429
H7	2.1445	1.0730	2.4472	2.4472	3.0222	1.7429		1.7429
H8	2.1445	1.0730	2.4472	3.0222	2.4472	1.7429	1.7429

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.316	C1	N2	H7	110.316
C1	N2	H8	110.316	N2	C1	H3	107.506
N2	C1	H4	107.506	N2	C1	H5	107.506
H3	C1	H4	111.363	H3	C1	H5	111.363
H4	C1	H5	111.363	H6	N2	H7	108.614
H6	N2	H8	108.614	H7	N2	H8	108.613

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

using model chemistry: B97D3/TZVP

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	-0.180
2	N	0.299
3	H	0.095
4	H	0.095
5	H	0.095
6	H	-0.135
7	H	-0.135
8	H	-0.135

	x	y	z
x	17.358	0.000	0.000
y	0.000	17.375	0.001
z	0.000	0.001	9.062

<r²>	32.857
(<r²>)^1/2	5.732

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

using model chemistry: B97D3/TZVP

States and conformations

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