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	hartrees
Energy at 0K	-96.308259
Energy at 298.15K	-96.315259
HF Energy	-96.308259
Nuclear repulsion energy	47.109177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3055	2948	82.26
2	A₁	2612	2521	67.57
3	A₁	1307	1261	126.99
4	A₁	1150	1110	87.37
5	A₁	895	864	54.79
6	A₂	283	273	0.00
7	E	3164	3054	12.54
7	E	3164	3054	12.54
8	E	1892	1826	4813.62
8	E	1892	1826	4815.01
9	E	1434	1384	37.55
9	E	1434	1384	37.56
10	E	1244	1201	0.58
10	E	1244	1201	0.58
11	E	1017	981	895.78
11	E	1017	981	895.54
12	E	838	809	160.87
12	E	838	809	160.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.794
N2	0.000	0.000	0.704
H3	0.000	-1.045	-1.131
H4	-0.905	0.523	-1.131
H5	0.905	0.523	-1.131
H6	0.000	1.017	1.076
H7	-0.881	-0.509	1.076
H8	0.881	-0.509	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4983	1.0984	1.0984	1.0984	2.1284	2.1284	2.1284
N2	1.4983		2.1124	2.1124	2.1124	1.0830	1.0830	1.0830
H3	1.0984	2.1124		1.8106	1.8106	3.0208	2.4362	2.4362
H4	1.0984	2.1124	1.8106		1.8106	2.4362	2.4362	3.0208
H5	1.0984	2.1124	1.8106	1.8106		2.4362	3.0208	2.4362
H6	2.1284	1.0830	3.0208	2.4362	2.4362		1.7621	1.7621
H7	2.1284	1.0830	2.4362	2.4362	3.0208	1.7621		1.7621
H8	2.1284	1.0830	2.4362	3.0208	2.4362	1.7621	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.051	C1	N2	H7	110.051
C1	N2	H8	110.051	N2	C1	H3	107.887
N2	C1	H4	107.887	N2	C1	H5	107.887
H3	C1	H4	111.008	H3	C1	H5	111.008
H4	C1	H5	111.008	H6	N2	H7	108.885
H6	N2	H8	108.885	H7	N2	H8	108.885

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

using model chemistry: B3PW91/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	-0.027
2	N	0.182
3	H	0.049
4	H	0.049
5	H	0.049
6	H	-0.101
7	H	-0.101
8	H	-0.101

	x	y	z
x	11.575	0.000	0.000
y	0.000	11.578	0.001
z	0.000	0.001	6.951

<r²>	31.766
(<r²>)^1/2	5.636

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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