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	hartrees
Energy at 0K	-96.341214
Energy at 298.15K	-96.348227
HF Energy	-96.341214
Nuclear repulsion energy	46.906813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2978	2969	105.47
2	A₁	2651	2643	53.09
3	A₁	1310	1307	84.23
4	A₁	1202	1198	171.61
5	A₁	810	807	28.78
6	A₂	263	262	0.00
7	E	3062	3053	14.50
7	E	3062	3053	14.49
8	E	2308	2301	2485.40
8	E	2308	2301	2485.41
9	E	1432	1428	3.62
9	E	1432	1428	3.63
10	E	1310	1306	1.99
10	E	1310	1306	2.00
11	E	1161	1157	80.71
11	E	1161	1157	80.74
12	E	843	840	42.07
12	E	843	840	42.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.811
N2	0.000	0.000	0.716
H3	0.000	-1.043	-1.139
H4	-0.903	0.521	-1.139
H5	0.903	0.521	-1.139
H6	0.000	1.004	1.089
H7	-0.870	-0.502	1.089
H8	0.870	-0.502	1.089

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5272	1.0930	1.0930	1.0930	2.1493	2.1493	2.1493
N2	1.5272		2.1279	2.1279	2.1279	1.0713	1.0713	1.0713
H3	1.0930	2.1279		1.8060	1.8060	3.0255	2.4520	2.4520
H4	1.0930	2.1279	1.8060		1.8060	2.4520	2.4520	3.0255
H5	1.0930	2.1279	1.8060	1.8060		2.4520	3.0255	2.4520
H6	2.1493	1.0713	3.0255	2.4520	2.4520		1.7394	1.7394
H7	2.1493	1.0713	2.4520	2.4520	3.0255	1.7394		1.7394
H8	2.1493	1.0713	2.4520	3.0255	2.4520	1.7394	1.7394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.377	C1	N2	H7	110.377
C1	N2	H8	110.377	N2	C1	H3	107.450
N2	C1	H4	107.450	N2	C1	H5	107.450
H3	C1	H4	111.415	H3	C1	H5	111.415
H4	C1	H5	111.415	H6	N2	H7	108.551
H6	N2	H8	108.551	H7	N2	H8	108.551

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

using model chemistry: BLYP/cc-pVTZ

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	-0.103
2	N	0.334
3	H	0.066
4	H	0.066
5	H	0.066
6	H	-0.143
7	H	-0.143
8	H	-0.143

	x	y	z
x	13.181	0.000	0.000
y	0.000	13.183	-0.001
z	0.000	-0.001	9.493

<r²>	32.893
(<r²>)^1/2	5.735

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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