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	hartrees
Energy at 0K	-96.376023
Energy at 298.15K	-96.383075
HF Energy	-96.376023
Nuclear repulsion energy	47.153182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3049	3049	93.36
2	A₁	2652	2652	34.21
3	A₁	1349	1349	103.77
4	A₁	1210	1210	187.67
5	A₁	872	872	41.48
6	A₂	277	277	0.00
7	E	3146	3146	14.62
7	E	3146	3146	14.62
8	E	2034	2034	6583.18
8	E	2034	2034	6588.82
9	E	1485	1485	11.43
9	E	1485	1485	11.42
10	E	1312	1312	33.91
10	E	1312	1312	34.05
11	E	1147	1147	529.35
11	E	1147	1147	529.30
12	E	847	847	170.49
12	E	847	847	170.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.803
N2	0.000	0.000	0.710
H3	0.000	-1.039	-1.130
H4	-0.900	0.520	-1.130
H5	0.900	0.520	-1.130
H6	0.000	1.006	1.079
H7	-0.871	-0.503	1.079
H8	0.871	-0.503	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5123	1.0896	1.0896	1.0896	2.1339	2.1339	2.1339
N2	1.5123		2.1132	2.1132	2.1132	1.0718	1.0718	1.0718
H3	1.0896	2.1132		1.7999	1.7999	3.0109	2.4349	2.4349
H4	1.0896	2.1132	1.7999		1.7999	2.4349	2.4349	3.0109
H5	1.0896	2.1132	1.7999	1.7999		2.4349	3.0109	2.4349
H6	2.1339	1.0718	3.0109	2.4349	2.4349		1.7426	1.7426
H7	2.1339	1.0718	2.4349	2.4349	3.0109	1.7426		1.7426
H8	2.1339	1.0718	2.4349	3.0109	2.4349	1.7426	1.7426

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.173	C1	N2	H7	110.173
C1	N2	H8	110.173	N2	C1	H3	107.502
N2	C1	H4	107.502	N2	C1	H5	107.502
H3	C1	H4	111.366	H3	C1	H5	111.366
H4	C1	H5	111.366	H6	N2	H7	108.761
H6	N2	H8	108.761	H7	N2	H8	108.761

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

using model chemistry: TPSSh/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	-0.164
2	N	-0.092
3	H	0.115
4	H	0.115
5	H	0.115
6	H	-0.030
7	H	-0.030
8	H	-0.030

	x	y	z
x	16.090	0.000	0.000
y	0.000	16.088	-0.001
z	0.000	-0.001	8.287

<r²>	32.289
(<r²>)^1/2	5.682

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

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

States and conformations

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