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	hartrees
Energy at 0K	-96.341661
Energy at 298.15K	-96.348469
HF Energy	-96.341661
Nuclear repulsion energy	46.855805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3044	2960	87.66
2	A₁	2484	2416	80.08
3	A₁	1309	1273	125.90
4	A₁	1119	1088	73.97
5	A₁	853	829	48.05
6	A₂	281	274	0.00
7	E	3150	3063	17.89
7	E	3150	3063	17.91
8	E	1645	1600	4302.75
8	E	1645	1600	4307.95
9	E	1452	1412	103.97
9	E	1452	1412	103.71
10	E	1231	1197	0.06
10	E	1231	1197	0.06
11	E	845	822	34.46
11	E	845	822	34.06
12	E	714	694	3456.54
12	E	714	694	3452.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.800
N2	0.000	0.000	0.710
H3	0.000	-1.048	-1.131
H4	-0.907	0.524	-1.131
H5	0.907	0.524	-1.131
H6	0.000	1.029	1.075
H7	-0.891	-0.515	1.075
H8	0.891	-0.515	1.075

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5106	1.0984	1.0984	1.0984	2.1389	2.1389	2.1389
N2	1.5106		2.1181	2.1181	2.1181	1.0917	1.0917	1.0917
H3	1.0984	2.1181		1.8145	1.8145	3.0292	2.4376	2.4376
H4	1.0984	2.1181	1.8145		1.8145	2.4376	2.4376	3.0292
H5	1.0984	2.1181	1.8145	1.8145		2.4376	3.0292	2.4376
H6	2.1389	1.0917	3.0292	2.4376	2.4376		1.7825	1.7825
H7	2.1389	1.0917	2.4376	2.4376	3.0292	1.7825		1.7825
H8	2.1389	1.0917	2.4376	3.0292	2.4376	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.499	C1	N2	H7	109.499
C1	N2	H8	109.499	N2	C1	H3	107.499
N2	C1	H4	107.499	N2	C1	H5	107.499
H3	C1	H4	111.370	H3	C1	H5	111.370
H4	C1	H5	111.370	H6	N2	H7	109.444
H6	N2	H8	109.444	H7	N2	H8	109.444

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

using model chemistry: TPSSh/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	-0.001
2	N	0.182
3	H	0.042
4	H	0.042
5	H	0.042
6	H	-0.102
7	H	-0.102
8	H	-0.102

	x	y	z
x	12.274	0.000	0.000
y	0.000	12.266	-0.000
z	0.000	-0.000	6.853

<r²>	31.969
(<r²>)^1/2	5.654

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

using model chemistry: TPSSh/cc-pVDZ

States and conformations

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