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	hartrees
Energy at 0K	-96.303750
Energy at 298.15K	-96.310882
HF Energy	-96.156422
Nuclear repulsion energy	47.552049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3087	2950	78.28
2	A₁	2841	2715	38.42
3	A₁	1380	1319	59.87
4	A₁	1266	1210	224.18
5	A₁	917	876	37.14
6	A₂	292	279	0.00
7	E	3177	3036	4.72
7	E	3177	3036	4.71
8	E	2508	2397	3274.38
8	E	2508	2397	3274.27
9	E	1496	1429	0.90
9	E	1496	1429	0.90
10	E	1399	1337	0.47
10	E	1399	1337	0.48
11	E	1226	1172	42.93
11	E	1226	1172	42.91
12	E	871	833	87.25
12	E	871	833	87.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.797
N2	0.000	0.000	0.705
H3	0.000	-1.032	-1.128
H4	-0.894	0.516	-1.128
H5	0.894	0.516	-1.128
H6	0.000	0.988	1.077
H7	-0.855	-0.494	1.077
H8	0.855	-0.494	1.077

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5017	1.0840	1.0840	1.0840	2.1182	2.1182	2.1182
N2	1.5017		2.1033	2.1033	2.1033	1.0555	1.0555	1.0555
H3	1.0840	2.1033		1.7879	1.7879	2.9901	2.4253	2.4253
H4	1.0840	2.1033	1.7879		1.7879	2.4253	2.4253	2.9901
H5	1.0840	2.1033	1.7879	1.7879		2.4253	2.9901	2.4253
H6	2.1182	1.0555	2.9901	2.4253	2.4253		1.7108	1.7108
H7	2.1182	1.0555	2.4253	2.4253	2.9901	1.7108		1.7108
H8	2.1182	1.0555	2.4253	2.9901	2.4253	1.7108	1.7108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.640	C1	N2	H7	110.640
C1	N2	H8	110.640	N2	C1	H3	107.770
N2	C1	H4	107.770	N2	C1	H5	107.770
H3	C1	H4	111.117	H3	C1	H5	111.117
H4	C1	H5	111.117	H6	N2	H7	108.278
H6	N2	H8	108.278	H7	N2	H8	108.278

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

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