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	hartrees
Energy at 0K	-96.318881
Energy at 298.15K	-96.326033
HF Energy	-96.318881
Nuclear repulsion energy	47.666482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3095	3095	47.84
2	A₁	3092	3092	32.14
3	A₁	1399	1399	168.68
4	A₁	1386	1386	97.74
5	A₁	980	980	32.31
6	A₂	279	279	0.00
7	E	3201	3201	14.05
7	E	3200	3200	14.49
8	E	3089	3089	1674.77
8	E	3089	3089	1684.84
9	E	1513	1513	138.77
9	E	1513	1513	138.06
10	E	1457	1457	0.39
10	E	1457	1457	0.44
11	E	1240	1240	0.11
11	E	1239	1239	0.02
12	E	879	879	75.13
12	E	879	879	77.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.795
N2	0.000	0.000	0.702
H3	0.000	-1.040	-1.131
H4	-0.901	0.520	-1.131
H5	0.901	0.520	-1.131
H6	0.000	0.969	1.084
H7	-0.839	-0.484	1.084
H8	0.839	-0.484	1.084

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4975	1.0930	1.0930	1.0930	2.1144	2.1144	2.1144
N2	1.4975		2.1078	2.1078	2.1078	1.0414	1.0414	1.0414
H3	1.0930	2.1078		1.8016	1.8016	2.9905	2.4330	2.4330
H4	1.0930	2.1078	1.8016		1.8016	2.4330	2.4330	2.9905
H5	1.0930	2.1078	1.8016	1.8016		2.4330	2.9905	2.4330
H6	2.1144	1.0414	2.9905	2.4330	2.4330		1.6782	1.6782
H7	2.1144	1.0414	2.4330	2.4330	2.9905	1.6782		1.6782
H8	2.1144	1.0414	2.4330	2.9905	2.4330	1.6782	1.6782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.509	C1	N2	H7	111.509
C1	N2	H8	111.509	N2	C1	H3	107.890
N2	C1	H4	107.890	N2	C1	H5	107.890
H3	C1	H4	111.005	H3	C1	H5	111.005
H4	C1	H5	111.005	H6	N2	H7	107.359
H6	N2	H8	107.359	H7	N2	H8	107.359

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

using model chemistry: M06-2X/aug-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	1.561
2	N	-0.488
3	H	-0.267
4	H	-0.267
5	H	-0.267
6	H	-0.091
7	H	-0.091
8	H	-0.091

	x	y	z
x	44.964	0.000	0.000
y	0.000	44.986	0.071
z	0.000	0.071	22.284

<r²>	35.306
(<r²>)^1/2	5.942

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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