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	hartrees
Energy at 0K	-95.842011
Energy at 298.15K	-95.848964
HF Energy	-95.842011
Nuclear repulsion energy	47.107718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2965	2932	107.15
2	A₁	2577	2548	111.69
3	A₁	1236	1222	160.66
4	A₁	1112	1100	51.40
5	A₁	923	913	66.51
6	A₂	275	272	0.00
7	E	3074	3040	15.83
7	E	3074	3040	15.83
8	E	2068	2045	2801.55
8	E	2068	2045	2802.16
9	E	1352	1337	23.87
9	E	1352	1337	23.87
10	E	1192	1179	2.39
10	E	1192	1179	2.39
11	E	1038	1026	211.56
11	E	1038	1026	211.52
12	E	798	789	86.03
12	E	798	789	86.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.786
N2	0.000	0.000	0.698
H3	0.000	-1.056	-1.124
H4	-0.914	0.528	-1.124
H5	0.914	0.528	-1.124
H6	0.000	1.027	1.068
H7	-0.890	-0.514	1.068
H8	0.890	-0.514	1.068

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4843	1.1085	1.1085	1.1085	2.1198	2.1198	2.1198
N2	1.4843		2.1059	2.1059	2.1059	1.0920	1.0920	1.0920
H3	1.1085	2.1059		1.8286	1.8286	3.0240	2.4270	2.4270
H4	1.1085	2.1059	1.8286		1.8286	2.4270	2.4270	3.0240
H5	1.1085	2.1059	1.8286	1.8286		2.4270	3.0240	2.4270
H6	2.1198	1.0920	3.0240	2.4270	2.4270		1.7796	1.7796
H7	2.1198	1.0920	2.4270	2.4270	3.0240	1.7796		1.7796
H8	2.1198	1.0920	2.4270	3.0240	2.4270	1.7796	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.799	C1	N2	H7	109.799
C1	N2	H8	109.799	N2	C1	H3	107.745
N2	C1	H4	107.745	N2	C1	H5	107.745
H3	C1	H4	111.141	H3	C1	H5	111.141
H4	C1	H5	111.141	H6	N2	H7	109.142
H6	N2	H8	109.142	H7	N2	H8	109.142

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

using model chemistry: LSDA/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	-0.126
2	N	0.130
3	H	0.062
4	H	0.062
5	H	0.062
6	H	-0.063
7	H	-0.063
8	H	-0.063

	x	y	z
x	10.106	0.000	0.000
y	0.000	10.107	-0.000
z	0.000	-0.000	7.598

<r²>	31.710
(<r²>)^1/2	5.631

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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