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	hartrees
Energy at 0K	-96.263045
Energy at 298.15K	-96.270143
HF Energy	-96.263045
Nuclear repulsion energy	47.468123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3067	2945	88.76
2	A₁	2780	2670	45.21
3	A₁	1353	1300	105.60
4	A₁	1245	1195	175.31
5	A₁	934	897	48.85
6	A₂	282	271	0.00
7	E	3167	3041	10.15
7	E	3167	3041	10.15
8	E	2303	2212	4620.30
8	E	2303	2212	4623.24
9	E	1469	1411	8.93
9	E	1469	1411	8.95
10	E	1345	1292	3.16
10	E	1345	1292	3.16
11	E	1193	1146	122.19
11	E	1193	1146	122.08
12	E	860	826	119.70
12	E	860	826	119.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.793
N2	0.000	0.000	0.703
H3	0.000	-1.037	-1.128
H4	-0.898	0.518	-1.128
H5	0.898	0.518	-1.128
H6	0.000	0.998	1.074
H7	-0.864	-0.499	1.074
H8	0.864	-0.499	1.074

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4951	1.0899	1.0899	1.0899	2.1165	2.1165	2.1165
N2	1.4951		2.1040	2.1040	2.1040	1.0645	1.0645	1.0645
H3	1.0899	2.1040		1.7959	1.7959	2.9982	2.4261	2.4261
H4	1.0899	2.1040	1.7959		1.7959	2.4261	2.4261	2.9982
H5	1.0899	2.1040	1.7959	1.7959		2.4261	2.9982	2.4261
H6	2.1165	1.0645	2.9982	2.4261	2.4261		1.7277	1.7277
H7	2.1165	1.0645	2.4261	2.4261	2.9982	1.7277		1.7277
H8	2.1165	1.0645	2.4261	2.9982	2.4261	1.7277	1.7277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.429	C1	N2	H7	110.429
C1	N2	H8	110.429	N2	C1	H3	107.938
N2	C1	H4	107.938	N2	C1	H5	107.938
H3	C1	H4	110.960	H3	C1	H5	110.960
H4	C1	H5	110.960	H6	N2	H7	108.496
H6	N2	H8	108.496	H7	N2	H8	108.496

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

using model chemistry: HSEh1PBE/6-311G**

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	-0.193
2	N	-0.117
3	H	0.122
4	H	0.122
5	H	0.122
6	H	-0.019
7	H	-0.019
8	H	-0.019

	x	y	z
x	14.202	0.000	0.000
y	0.000	14.211	-0.002
z	0.000	-0.002	8.494

<r²>	32.037
(<r²>)^1/2	5.660

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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