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	hartrees
Energy at 0K	-96.266241
Energy at 298.15K	-96.273209
HF Energy	-96.266241
Nuclear repulsion energy	47.057644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3098	2944	30.69
2	A₁	2568	2441	22.45
3	A₁	1334	1268	85.63
4	A₁	1129	1073	20.82
5	A₁	850	808	30.65
6	A₂	289	274	0.00
7	E	3198	3040	10.25
7	E	3198	3039	10.17
8	E	1834	1743	2578.97
8	E	1834	1743	2572.92
9	E	1489	1416	26.64
9	E	1489	1416	26.48
10	E	1230	1169	1.67
10	E	1230	1169	1.77
11	E	973	924	546.86
11	E	973	924	548.02
12	E	841	799	171.88
12	E	841	799	172.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.797
N2	0.000	0.000	0.710
H3	0.000	-1.038	-1.128
H4	-0.899	0.519	-1.128
H5	0.899	0.519	-1.128
H6	0.000	1.029	1.065
H7	-0.891	-0.515	1.065
H8	0.891	-0.515	1.065

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5065	1.0894	1.0894	1.0894	2.1273	2.1273	2.1273
N2	1.5065		2.1102	2.1102	2.1102	1.0888	1.0888	1.0888
H3	1.0894	2.1102		1.7979	1.7979	3.0134	2.4240	2.4240
H4	1.0894	2.1102	1.7979		1.7979	2.4240	2.4240	3.0134
H5	1.0894	2.1102	1.7979	1.7979		2.4240	3.0134	2.4240
H6	2.1273	1.0888	3.0134	2.4240	2.4240		1.7825	1.7825
H7	2.1273	1.0888	2.4240	2.4240	3.0134	1.7825		1.7825
H8	2.1273	1.0888	2.4240	3.0134	2.4240	1.7825	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.047	C1	N2	H7	109.047
C1	N2	H8	109.047	N2	C1	H3	107.677
N2	C1	H4	107.677	N2	C1	H5	107.677
H3	C1	H4	111.204	H3	C1	H5	111.204
H4	C1	H5	111.204	H6	N2	H7	109.892
H6	N2	H8	109.892	H7	N2	H8	109.892

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

using model chemistry: M06-2X/6-31G**

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	-0.270
2	N	-0.237
3	H	0.137
4	H	0.137
5	H	0.137
6	H	0.032
7	H	0.032
8	H	0.032

	x	y	z	Total
	0.000	0.000	-1.092	1.092
CHELPG
AIM
ESP

	x	y	z
x	7.646	0.000	0.000
y	0.000	7.655	-0.009
z	0.000	-0.009	5.047

<r²>	31.506
(<r²>)^1/2	5.613

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

using model chemistry: M06-2X/6-31G**

States and conformations

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