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	hartrees
Energy at 0K	-95.873093
Energy at 298.15K	-95.880152
HF Energy	-95.873093
Nuclear repulsion energy	47.393049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2974	2926	106.33
2	A₁	2696	2652	77.65
3	A₁	1290	1269	134.23
4	A₁	1210	1191	135.08
5	A₁	950	935	44.15
6	A₂	288	283	0.00
7	E	3073	3023	14.93
7	E	3073	3023	14.93
8	E	2303	2266	2804.68
8	E	2303	2266	2804.96
9	E	1407	1384	13.46
9	E	1407	1384	13.46
10	E	1304	1283	0.36
10	E	1304	1283	0.36
11	E	1164	1145	58.07
11	E	1164	1145	58.07
12	E	828	814	101.20
12	E	828	814	101.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.787
N2	0.000	0.000	0.697
H3	0.000	-1.046	-1.125
H4	-0.906	0.523	-1.125
H5	0.906	0.523	-1.125
H6	0.000	1.009	1.072
H7	-0.873	-0.504	1.072
H8	0.873	-0.504	1.072

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4832	1.0992	1.0992	1.0992	2.1147	2.1147	2.1147
N2	1.4832		2.1003	2.1003	2.1003	1.0762	1.0762	1.0762
H3	1.0992	2.1003		1.8115	1.8115	3.0079	2.4254	2.4254
H4	1.0992	2.1003	1.8115		1.8115	2.4254	2.4254	3.0079
H5	1.0992	2.1003	1.8115	1.8115		2.4254	3.0079	2.4254
H6	2.1147	1.0762	3.0079	2.4254	2.4254		1.7469	1.7469
H7	2.1147	1.0762	2.4254	2.4254	3.0079	1.7469		1.7470
H8	2.1147	1.0762	2.4254	3.0079	2.4254	1.7469	1.7470

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.419	C1	N2	H7	110.419
C1	N2	H8	110.419	N2	C1	H3	107.920
N2	C1	H4	107.920	N2	C1	H5	107.920
H3	C1	H4	110.977	H3	C1	H5	110.977
H4	C1	H5	110.977	H6	N2	H7	108.507
H6	N2	H8	108.507	H7	N2	H8	108.507

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

using model chemistry: LSDA/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	-0.539
2	N	-0.554
3	H	0.232
4	H	0.232
5	H	0.232
6	H	0.132
7	H	0.132
8	H	0.132

	x	y	z	Total
	0.000	0.000	-1.137	1.137
CHELPG
AIM
ESP

	x	y	z
x	12.571	0.000	0.000
y	0.000	12.573	-0.001
z	0.000	-0.001	8.836

<r²>	32.069
(<r²>)^1/2	5.663

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

using model chemistry: LSDA/6-311G*

States and conformations

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