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	hartrees
Energy at 0K	-95.734481
Energy at 298.15K	-95.741813
HF Energy	-95.734481
Nuclear repulsion energy	48.232077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	2951	0.24
2	A₁	3213	2919	32.74
3	A₁	1544	1402	5.04
4	A₁	1463	1329	440.68
5	A₁	1030	936	42.89
6	A₂	368	334	0.00
7	E	3303	3001	8.27
7	E	3303	3001	8.27
8	E	3074	2792	5615.46
8	E	3074	2792	5615.46
9	E	1625	1476	389.32
9	E	1625	1476	389.32
10	E	1608	1461	21.42
10	E	1608	1461	21.42
11	E	1359	1235	4.26
11	E	1359	1235	4.26
12	E	952	865	228.80
12	E	952	865	228.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.788
N2	0.000	0.000	0.697
H3	0.000	-1.022	-1.127
H4	-0.885	0.511	-1.127
H5	0.885	0.511	-1.127
H6	0.000	0.951	1.078
H7	-0.824	-0.476	1.078
H8	0.824	-0.476	1.078

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4847	1.0769	1.0769	1.0769	2.0947	2.0947	2.0947
N2	1.4847		2.0904	2.0904	2.0904	1.0249	1.0249	1.0249
H3	1.0769	2.0904		1.7705	1.7705	2.9591	2.4166	2.4166
H4	1.0769	2.0904	1.7705		1.7705	2.4166	2.4166	2.9591
H5	1.0769	2.0904	1.7705	1.7705		2.4166	2.9591	2.4166
H6	2.0947	1.0249	2.9591	2.4166	2.4166		1.6474	1.6474
H7	2.0947	1.0249	2.4166	2.4166	2.9591	1.6474		1.6474
H8	2.0947	1.0249	2.4166	2.9591	2.4166	1.6474	1.6474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.863	C1	N2	H7	111.863
C1	N2	H8	111.863	N2	C1	H3	108.335
N2	C1	H4	108.335	N2	C1	H5	108.335
H3	C1	H4	110.583	H3	C1	H5	110.583
H4	C1	H5	110.583	H6	N2	H7	106.977
H6	N2	H8	106.977	H7	N2	H8	106.977

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

using model chemistry: HF/cc-pVQZ

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	0.158
2	N	0.885
3	H	0.018
4	H	0.018
5	H	0.018
6	H	-0.366
7	H	-0.366
8	H	-0.366

	x	y	z	Total
	0.000	0.000	-2.150	2.150
CHELPG
AIM
ESP

<r²>	32.900
(<r²>)^1/2	5.736

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

using model chemistry: HF/cc-pVQZ

States and conformations

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