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	hartrees
Energy at 0K	-95.906464
Energy at 298.15K	-95.913571
HF Energy	-95.906464
Nuclear repulsion energy	47.738923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2982	2982	55.41
2	A₁	2876	2876	3.55
3	A₁	1322	1322	33.58
4	A₁	1238	1238	431.48
5	A₁	979	979	63.63
6	A₂	295	295	0.00
7	E	3075	3075	0.03
7	E	3075	3075	0.03
8	E	2732	2732	1190.80
8	E	2732	2732	1192.20
9	E	1402	1402	18.31
9	E	1402	1402	18.46
10	E	1374	1374	30.45
10	E	1374	1374	30.54
11	E	1191	1191	0.19
11	E	1191	1191	0.20
12	E	841	841	86.06
12	E	841	841	86.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.781
N2	0.000	0.000	0.694
H3	0.000	-1.040	-1.128
H4	-0.901	0.520	-1.128
H5	0.901	0.520	-1.128
H6	0.000	0.988	1.072
H7	-0.856	-0.494	1.072
H8	0.856	-0.494	1.072

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4750	1.0967	1.0967	1.0967	2.1001	2.1001	2.1001
N2	1.4750		2.0978	2.0978	2.0978	1.0581	1.0581	1.0581
H3	1.0967	2.0978		1.8021	1.8021	2.9923	2.4227	2.4227
H4	1.0967	2.0978	1.8021		1.8021	2.4227	2.4227	2.9923
H5	1.0967	2.0978	1.8021	1.8021		2.4227	2.9923	2.4227
H6	2.1001	1.0581	2.9923	2.4227	2.4227		1.7117	1.7117
H7	2.1001	1.0581	2.4227	2.4227	2.9923	1.7117		1.7117
H8	2.1001	1.0581	2.4227	2.9923	2.4227	1.7117	1.7117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.932	C1	N2	H7	110.932
C1	N2	H8	110.932	N2	C1	H3	108.424
N2	C1	H4	108.424	N2	C1	H5	108.424
H3	C1	H4	110.498	H3	C1	H5	110.498
H4	C1	H5	110.498	H6	N2	H7	107.972
H6	N2	H8	107.972	H7	N2	H8	107.971

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

using model chemistry: LSDA/6-311+G(3df,2p)

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	-1.498
2	N	0.269
3	H	0.220
4	H	0.220
5	H	0.220
6	H	0.189
7	H	0.189
8	H	0.189

	x	y	z	Total
	0.000	0.000	-1.033	1.033
CHELPG
AIM
ESP

	x	y	z
x	25.041	0.000	0.000
y	0.000	24.987	0.012
z	0.000	0.012	15.330

<r²>	33.538
(<r²>)^1/2	5.791

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

using model chemistry: LSDA/6-311+G(3df,2p)

States and conformations

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