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	hartrees
Energy at 0K	-96.270708
Energy at 298.15K	-96.277152
HF Energy	-96.270708
Nuclear repulsion energy	46.222025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2997	2973	61.48
2	A₁	2334	2315	100.84
3	A₁	1266	1256	137.72
4	A₁	1084	1075	9.44
5	A₁	711	705	9.13
6	A₂	260	258	0.00
7	E	3088	3063	23.63
7	E	3088	3063	23.63
8	E	1608	1595	1475.33
8	E	1608	1595	1475.48
9	E	1449	1437	71.69
9	E	1449	1437	71.67
10	E	1169	1160	5.05
10	E	1169	1160	5.05
11	E	833	826	36.77
11	E	833	826	36.77
12	E	513	509	1567.73
12	E	513	509	1567.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.812
N2	0.000	0.000	0.718
H3	0.000	-1.049	-1.141
H4	-0.908	0.525	-1.141
H5	0.908	0.525	-1.141
H6	0.000	1.027	1.091
H7	-0.890	-0.514	1.091
H8	0.890	-0.514	1.091

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5302	1.0992	1.0992	1.0992	2.1628	2.1628	2.1628
N2	1.5302		2.1342	2.1342	2.1342	1.0928	1.0928	1.0928
H3	1.0992	2.1342		1.8169	1.8169	3.0481	2.4614	2.4614
H4	1.0992	2.1342	1.8169		1.8169	2.4614	2.4614	3.0481
H5	1.0992	2.1342	1.8169	1.8169		2.4614	3.0481	2.4614
H6	2.1628	1.0928	3.0481	2.4614	2.4614		1.7791	1.7791
H7	2.1628	1.0928	2.4614	2.4614	3.0481	1.7791		1.7791
H8	2.1628	1.0928	2.4614	3.0481	2.4614	1.7791	1.7791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.962	C1	N2	H7	109.962
C1	N2	H8	109.962	N2	C1	H3	107.384
N2	C1	H4	107.384	N2	C1	H5	107.384
H3	C1	H4	111.475	H3	C1	H5	111.475
H4	C1	H5	111.476	H6	N2	H7	108.976
H6	N2	H8	108.976	H7	N2	H8	108.976

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

using model chemistry: BLYP/6-31G*

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	-0.314
2	N	-0.343
3	H	0.145
4	H	0.145
5	H	0.145
6	H	0.074
7	H	0.074
8	H	0.074

	x	y	z	Total
	0.000	0.000	-0.944	0.944
CHELPG
AIM
ESP

<r²>	32.199
(<r²>)^1/2	5.674

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

using model chemistry: BLYP/6-31G*

States and conformations

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