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	hartrees
Energy at 0K	-95.743335
Energy at 298.15K
HF Energy	-95.743335
Nuclear repulsion energy	45.021166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3007	2990	29.20
2	A₁	2145	2133	160.51
3	A₁	1212	1205	190.01
4	A₁	1028	1022	0.70
5	A₁	344	342	37.09
6	A₂	224	222	0.00
7	E	3105	3088	22.65
7	E	3105	3088	22.66
8	E	1488	1480	102.98
8	E	1488	1480	102.93
9	E	1441	1433	704.87
9	E	1441	1433	705.00
10	E	1081	1075	1.10
10	E	1081	1075	1.10
11	E	792	787	34.35
11	E	792	787	34.35
12	E	556i	553i	1866.14
12	E	556i	553i	1865.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.856
N2	0.000	0.000	0.754
H3	0.000	-1.054	-1.159
H4	-0.912	0.527	-1.159
H5	0.912	0.527	-1.159
H6	0.000	1.087	1.110
H7	-0.942	-0.544	1.110
H8	0.942	-0.544	1.110

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.6101	1.0963	1.0963	1.0963	2.2466	2.2466	2.2466
N2	1.6101		2.1839	2.1839	2.1839	1.1442	1.1442	1.1442
H3	1.0963	2.1839		1.8249	1.8249	3.1195	2.5088	2.5088
H4	1.0963	2.1839	1.8249		1.8249	2.5088	2.5088	3.1195
H5	1.0963	2.1839	1.8249	1.8249		2.5088	3.1195	2.5088
H6	2.2466	1.1442	3.1195	2.5088	2.5088		1.8835	1.8835
H7	2.2466	1.1442	2.5088	2.5088	3.1195	1.8835		1.8835
H8	2.2466	1.1442	2.5088	3.1195	2.5088	1.8835	1.8835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.117	C1	N2	H7	108.117
C1	N2	H8	108.117	N2	C1	H3	106.040
N2	C1	H4	106.040	N2	C1	H5	106.040
H3	C1	H4	112.673	H3	C1	H5	112.673
H4	C1	H5	112.673	H6	N2	H7	110.790
H6	N2	H8	110.790	H7	N2	H8	110.790

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

using model chemistry: BLYP/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.452
2	N	-0.414
3	H	0.191
4	H	0.191
5	H	0.191
6	H	0.097
7	H	0.097
8	H	0.097

	x	y	z	Total
	0.000	0.000	-0.805	0.805
CHELPG
AIM
ESP

<r²>	33.036
(<r²>)^1/2	5.748

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

using model chemistry: BLYP/3-21G

States and conformations

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