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	hartrees
Energy at 0K	-95.725252
Energy at 298.15K
HF Energy	-95.725252
Nuclear repulsion energy	45.922796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3079	2952	14.37
2	A₁	2366	2268	89.07
3	A₁	1320	1265	152.54
4	A₁	1083	1038	0.54
5	A₁	660	633	9.18
6	A₂	231	222	0.00
7	E	3176	3045	9.37
7	E	3176	3045	9.34
8	E	1529	1466	7.45
8	E	1529	1466	7.29
9	E	1420	1361	1160.04
9	E	1419	1361	1172.14
10	E	1160	1112	1.79
10	E	1160	1112	1.80
11	E	824	790	3.79
11	E	824	790	3.69
12	E	684i	656i	4107.20
12	E	685i	656i	4157.40

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.828
N2	0.000	0.000	0.734
H3	0.000	-1.042	-1.144
H4	-0.902	0.521	-1.144
H5	0.902	0.521	-1.144
H6	0.000	1.068	1.087
H7	-0.925	-0.534	1.087
H8	0.925	-0.534	1.087

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5618	1.0888	1.0888	1.0888	2.1925	2.1925	2.1925
N2	1.5618		2.1472	2.1472	2.1472	1.1246	1.1246	1.1246
H3	1.0888	2.1472		1.8047	1.8047	3.0703	2.4676	2.4676
H4	1.0888	2.1472	1.8047		1.8047	2.4676	2.4676	3.0703
H5	1.0888	2.1472	1.8047	1.8047		2.4676	3.0703	2.4676
H6	2.1925	1.1246	3.0703	2.4676	2.4676		1.8493	1.8493
H7	2.1925	1.1246	2.4676	2.4676	3.0703	1.8493		1.8493
H8	2.1925	1.1246	2.4676	3.0703	2.4676	1.8493	1.8493

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.304	C1	N2	H7	108.304
C1	N2	H8	108.304	N2	C1	H3	106.857
N2	C1	H4	106.857	N2	C1	H5	106.857
H3	C1	H4	111.954	H3	C1	H5	111.954
H4	C1	H5	111.954	H6	N2	H7	110.613
H6	N2	H8	110.613	H7	N2	H8	110.613

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

using model chemistry: M06-2X/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	-0.472
2	N	-0.499
3	H	0.212
4	H	0.212
5	H	0.212
6	H	0.112
7	H	0.112
8	H	0.112

	x	y	z	Total
	0.000	0.000	-0.998	0.998
CHELPG
AIM
ESP

	x	y	z
x	7.222	0.000	0.000
y	0.000	7.166	-0.004
z	0.000	-0.004	4.856

<r²>	32.189
(<r²>)^1/2	5.674

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

using model chemistry: M06-2X/3-21G

States and conformations

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