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	hartrees
Energy at 0K	-95.722980
Energy at 298.15K	-95.730261
HF Energy	-95.722980
Nuclear repulsion energy	48.126380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3409	3104	142.92
2	A₁	3229	2940	12.47
3	A₁	1563	1423	638.69
4	A₁	1539	1401	96.97
5	A₁	1034	941	46.16
6	A₂	312	284	0.00
7	E	3421	3115	4237.88
7	E	3421	3115	4237.88
8	E	3332	3034	0.12
8	E	3332	3034	0.12
9	E	1682	1532	955.36
9	E	1682	1532	955.36
10	E	1593	1450	12.18
10	E	1593	1450	12.18
11	E	1361	1239	6.63
11	E	1361	1239	6.63
12	E	960	874	194.22
12	E	960	874	194.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.791
N2	0.000	0.000	0.699
H3	0.000	-1.029	-1.133
H4	-0.891	0.514	-1.133
H5	0.891	0.514	-1.133
H6	0.000	0.946	1.083
H7	-0.819	-0.473	1.083
H8	0.819	-0.473	1.083

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4897	1.0841	1.0841	1.0841	2.0989	2.0989	2.0989
N2	1.4897		2.1008	2.1008	2.1008	1.0206	1.0206	1.0206
H3	1.0841	2.1008		1.7818	1.7818	2.9678	2.4268	2.4268
H4	1.0841	2.1008	1.7818		1.7818	2.4268	2.4268	2.9678
H5	1.0841	2.1008	1.7818	1.7818		2.4268	2.9678	2.4268
H6	2.0989	1.0206	2.9678	2.4268	2.4268		1.6377	1.6377
H7	2.0989	1.0206	2.4268	2.4268	2.9678	1.6377		1.6377
H8	2.0989	1.0206	2.4268	2.9678	2.4268	1.6377	1.6377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.112	C1	N2	H7	112.112
C1	N2	H8	112.112	N2	C1	H3	108.391
N2	C1	H4	108.391	N2	C1	H5	108.391
H3	C1	H4	110.530	H3	C1	H5	110.530
H4	C1	H5	110.530	H6	N2	H7	106.706
H6	N2	H8	106.706	H7	N2	H8	106.706

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

using model chemistry: HF/aug-cc-pVDZ

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	1.097
2	N	-0.113
3	H	-0.083
4	H	-0.083
5	H	-0.083
6	H	-0.245
7	H	-0.245
8	H	-0.245

<r²>	36.938
(<r²>)^1/2	6.078

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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