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	hartrees
Energy at 0K	-96.323424
Energy at 298.15K	-96.330490
HF Energy	-96.323424
Nuclear repulsion energy	46.983448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2995	2979	63.86
2	A₁	2786	2771	3.25
3	A₁	1338	1331	68.34
4	A₁	1263	1257	360.17
5	A₁	838	834	47.46
6	A₂	280	279	0.00
7	E	3089	3072	0.58
7	E	3089	3072	0.59
8	E	2674	2660	812.09
8	E	2674	2660	812.42
9	E	1442	1434	4.57
9	E	1442	1434	4.59
10	E	1422	1415	16.05
10	E	1422	1415	16.01
11	E	1187	1181	0.40
11	E	1187	1181	0.40
12	E	856	851	24.72
12	E	856	851	24.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.809
N2	0.000	0.000	0.715
H3	0.000	-1.045	-1.145
H4	-0.905	0.523	-1.145
H5	0.905	0.523	-1.145
H6	0.000	0.993	1.095
H7	-0.860	-0.496	1.095
H8	0.860	-0.496	1.095

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5234	1.0978	1.0978	1.0978	2.1469	2.1469	2.1469
N2	1.5234		2.1329	2.1329	2.1329	1.0629	1.0629	1.0629
H3	1.0978	2.1329		1.8103	1.8103	3.0278	2.4608	2.4608
H4	1.0978	2.1329	1.8103		1.8103	2.4608	2.4608	3.0278
H5	1.0978	2.1329	1.8103	1.8103		2.4608	3.0278	2.4608
H6	2.1469	1.0629	3.0278	2.4608	2.4608		1.7191	1.7191
H7	2.1469	1.0629	2.4608	2.4608	3.0278	1.7191		1.7191
H8	2.1469	1.0629	2.4608	3.0278	2.4608	1.7191	1.7191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.963	C1	N2	H7	110.963
C1	N2	H8	110.963	N2	C1	H3	107.812
N2	C1	H4	107.812	N2	C1	H5	107.812
H3	C1	H4	111.078	H3	C1	H5	111.078
H4	C1	H5	111.078	H6	N2	H7	107.939
H6	N2	H8	107.939	H7	N2	H8	107.939

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

using model chemistry: BLYP/6-31+G**

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	-1.748
2	N	0.367
3	H	0.184
4	H	0.184
5	H	0.184
6	H	0.276
7	H	0.276
8	H	0.276

	x	y	z	Total
	0.000	0.000	-1.126	1.126
CHELPG
AIM
ESP

	x	y	z
x	20.197	0.000	0.000
y	0.000	20.183	0.001
z	0.000	0.001	13.989

<r²>	34.303
(<r²>)^1/2	5.857

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

using model chemistry: BLYP/6-31+G**

States and conformations

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