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	hartrees
Energy at 0K	-96.306404
Energy at 298.15K
HF Energy	-96.306404
Nuclear repulsion energy	47.474637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3090	3090	37.87
2	A₁	2829	2829	0.13
3	A₁	1383	1383	59.31
4	A₁	1291	1291	191.92
5	A₁	947	947	31.89
6	A₂	299	299	0.00
7	E	3186	3186	1.54
7	E	3186	3186	1.28
8	E	1499	1499	16.12
8	E	1499	1499	15.35
9	E	1425	1425	91.61
9	E	1425	1425	94.59
10	E	1300	1300	4119.59
10	E	1299	1299	4090.54
11	E	988	988	3389.92
11	E	988	988	3324.20
12	E	1261i	1261i	81287.75
12	E	1264i	1264i	82036.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.703
H3	0.000	-1.035	-1.131
H4	-0.896	0.517	-1.131
H5	0.896	0.517	-1.131
H6	0.000	0.989	1.084
H7	-0.857	-0.495	1.084
H8	0.857	-0.495	1.084

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4991	1.0878	1.0878	1.0878	2.1242	2.1242	2.1242
N2	1.4991		2.1058	2.1058	2.1058	1.0598	1.0598	1.0598
H3	1.0878	2.1058		1.7926	1.7926	3.0002	2.4352	2.4352
H4	1.0878	2.1058	1.7926		1.7926	2.4352	2.4352	3.0002
H5	1.0878	2.1058	1.7926	1.7926		2.4352	3.0002	2.4352
H6	2.1242	1.0598	3.0002	2.4352	2.4352		1.7131	1.7131
H7	2.1242	1.0598	2.4352	2.4352	3.0002	1.7131		1.7131
H8	2.1242	1.0598	2.4352	3.0002	2.4352	1.7131	1.7131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.056	C1	N2	H7	111.056
C1	N2	H8	111.056	N2	C1	H3	107.924
N2	C1	H4	107.924	N2	C1	H5	107.924
H3	C1	H4	110.973	H3	C1	H5	110.973
H4	C1	H5	110.973	H6	N2	H7	107.841
H6	N2	H8	107.841	H7	N2	H8	107.842

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

using model chemistry: M06-2X/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	-0.486
2	N	-0.512
3	H	0.234
4	H	0.234
5	H	0.234
6	H	0.099
7	H	0.099
8	H	0.099

	x	y	z	Total
	0.000	0.000	-1.761	1.761
CHELPG
AIM
ESP

	x	y	z
x	45.391	0.000	0.000
y	0.000	45.271	-0.021
z	0.000	-0.021	7.622

<r²>	32.325
(<r²>)^1/2	5.686

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

using model chemistry: M06-2X/6-311G*

States and conformations

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