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	hartrees
Energy at 0K	-95.796154
Energy at 298.15K
HF Energy	-95.796154
Nuclear repulsion energy	45.533575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3074	2978	30.30
2	A₁	2164	2097	122.03
3	A₁	1294	1254	151.44
4	A₁	1024	992	4.55
5	A₁	590	572	15.42
6	A₂	245	237	0.00
7	E	3173	3074	20.17
7	E	3173	3074	20.17
8	E	1530	1482	0.05
8	E	1530	1482	0.05
9	E	1304	1263	493.34
9	E	1304	1263	493.48
10	E	1120	1085	31.22
10	E	1120	1085	31.23
11	E	816	790	13.56
11	E	816	790	13.57
12	E	1625i	1574i	5610.63
12	E	1625i	1574i	5611.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.831
N2	0.000	0.000	0.744
H3	0.000	-1.045	-1.144
H4	-0.905	0.523	-1.144
H5	0.905	0.523	-1.144
H6	0.000	1.099	1.069
H7	-0.952	-0.550	1.069
H8	0.952	-0.550	1.069

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5755	1.0912	1.0912	1.0912	2.1954	2.1954	2.1954
N2	1.5755		2.1585	2.1585	2.1585	1.1464	1.1464	1.1464
H3	1.0912	2.1585		1.8106	1.8106	3.0820	2.4599	2.4599
H4	1.0912	2.1585	1.8106		1.8106	2.4599	2.4599	3.0820
H5	1.0912	2.1585	1.8106	1.8106		2.4599	3.0820	2.4599
H6	2.1954	1.1464	3.0820	2.4599	2.4599		1.9042	1.9042
H7	2.1954	1.1464	2.4599	2.4599	3.0820	1.9042		1.9042
H8	2.1954	1.1464	2.4599	3.0820	2.4599	1.9042	1.9042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	106.463	C1	N2	H7	106.463
C1	N2	H8	106.463	N2	C1	H3	106.668
N2	C1	H4	106.668	N2	C1	H5	106.668
H3	C1	H4	112.123	H3	C1	H5	112.123
H4	C1	H5	112.123	H6	N2	H7	112.305
H6	N2	H8	112.305	H7	N2	H8	112.305

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

using model chemistry: TPSSh/3-21G

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	-0.500
2	N	-0.464
3	H	0.218
4	H	0.218
5	H	0.218
6	H	0.103
7	H	0.103
8	H	0.103

	x	y	z	Total
	0.000	0.000	-1.054	1.054
CHELPG
AIM
ESP

	x	y	z
x	6.872	0.000	0.000
y	0.000	6.873	0.001
z	0.000	0.001	4.724

<r²>	32.379
(<r²>)^1/2	5.690

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

using model chemistry: TPSSh/3-21G

States and conformations

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