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	hartrees
Energy at 0K	-96.252369
Energy at 298.15K	-96.259485
HF Energy	-96.252369
Nuclear repulsion energy	47.510288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3076	2952	91.00
2	A₁	2793	2680	53.26
3	A₁	1363	1308	99.12
4	A₁	1276	1224	175.76
5	A₁	943	905	45.11
6	A₂	288	276	0.00
7	E	3176	3048	11.04
7	E	3176	3048	11.06
8	E	2324	2230	4601.73
8	E	2324	2230	4605.12
9	E	1486	1426	10.62
9	E	1486	1426	10.60
10	E	1387	1331	4.05
10	E	1387	1331	4.05
11	E	1213	1164	107.49
11	E	1213	1164	107.42
12	E	868	833	125.09
12	E	868	833	125.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.792
N2	0.000	0.000	0.702
H3	0.000	-1.036	-1.129
H4	-0.897	0.518	-1.129
H5	0.897	0.518	-1.129
H6	0.000	0.994	1.076
H7	-0.861	-0.497	1.076
H8	0.861	-0.497	1.076

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4939	1.0894	1.0894	1.0894	2.1161	2.1161	2.1161
N2	1.4939		2.1032	2.1032	2.1032	1.0624	1.0624	1.0624
H3	1.0894	2.1032		1.7946	1.7946	2.9969	2.4271	2.4271
H4	1.0894	2.1032	1.7946		1.7946	2.4271	2.4271	2.9969
H5	1.0894	2.1032	1.7946	1.7946		2.4271	2.9969	2.4271
H6	2.1161	1.0624	2.9969	2.4271	2.4271		1.7224	1.7224
H7	2.1161	1.0624	2.4271	2.4271	2.9969	1.7224		1.7224
H8	2.1161	1.0624	2.4271	2.9969	2.4271	1.7224	1.7224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.608	C1	N2	H7	110.608
C1	N2	H8	110.608	N2	C1	H3	107.985
N2	C1	H4	107.985	N2	C1	H5	107.985
H3	C1	H4	110.916	H3	C1	H5	110.916
H4	C1	H5	110.916	H6	N2	H7	108.311
H6	N2	H8	108.311	H7	N2	H8	108.311

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

using model chemistry: HSEh1PBE/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	-0.474
2	N	-0.514
3	H	0.223
4	H	0.223
5	H	0.223
6	H	0.106
7	H	0.106
8	H	0.106

	x	y	z	Total
	0.000	0.000	-1.468	1.468
CHELPG
AIM
ESP

	x	y	z
x	14.188	0.000	0.000
y	0.000	14.199	-0.002
z	0.000	-0.002	8.384

<r²>	32.060
(<r²>)^1/2	5.662

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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