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	hartrees
Energy at 0K	-96.270842
Energy at 298.15K	-96.277934
HF Energy	-96.270842
Nuclear repulsion energy	47.373547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2988	65.63
2	A₁	2836	2836	7.54
3	A₁	1335	1335	33.38
4	A₁	1236	1236	673.11
5	A₁	904	904	80.89
6	A₂	285	285	0.00
7	E	3080	3080	0.03
7	E	3080	3080	0.03
8	E	2687	2687	1583.15
8	E	2687	2687	1586.03
9	E	1427	1427	24.86
9	E	1427	1427	25.07
10	E	1396	1396	46.55
10	E	1396	1396	46.59
11	E	1196	1196	0.03
11	E	1196	1196	0.04
12	E	852	852	91.15
12	E	852	852	91.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.797
N2	0.000	0.000	0.706
H3	0.000	-1.042	-1.135
H4	-0.902	0.521	-1.135
H5	0.902	0.521	-1.135
H6	0.000	0.987	1.082
H7	-0.855	-0.494	1.082
H8	0.855	-0.494	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5036	1.0952	1.0952	1.0952	2.1229	2.1229	2.1229
N2	1.5036		2.1160	2.1160	2.1160	1.0565	1.0565	1.0565
H3	1.0952	2.1160		1.8042	1.8042	3.0058	2.4390	2.4390
H4	1.0952	2.1160	1.8042		1.8042	2.4390	2.4390	3.0058
H5	1.0952	2.1160	1.8042	1.8042		2.4390	3.0058	2.4390
H6	2.1229	1.0565	3.0058	2.4390	2.4390		1.7103	1.7103
H7	2.1229	1.0565	2.4390	2.4390	3.0058	1.7103		1.7103
H8	2.1229	1.0565	2.4390	3.0058	2.4390	1.7103	1.7103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.832	C1	N2	H7	110.832
C1	N2	H8	110.832	N2	C1	H3	107.987
N2	C1	H4	107.987	N2	C1	H5	107.987
H3	C1	H4	110.914	H3	C1	H5	110.914
H4	C1	H5	110.914	H6	N2	H7	108.077
H6	N2	H8	108.077	H7	N2	H8	108.077

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

using model chemistry: PBEPBEultrafine/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	-1.414
2	N	0.396
3	H	0.185
4	H	0.185
5	H	0.185
6	H	0.154
7	H	0.154
8	H	0.154

	x	y	z	Total
	0.000	0.000	-1.157	1.157
CHELPG
AIM
ESP

	x	y	z
x	29.143	0.000	0.000
y	0.000	29.067	0.022
z	0.000	0.022	17.525

<r²>	34.035
(<r²>)^1/2	5.834

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

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

States and conformations

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