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	hartrees
Energy at 0K	-96.282365
Energy at 298.15K	-96.288819
HF Energy	-96.282365
Nuclear repulsion energy	46.283416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2988	2965	63.27
2	A₁	2355	2337	102.74
3	A₁	1255	1245	137.64
4	A₁	1070	1062	9.15
5	A₁	697	692	9.69
6	A₂	255	253	0.00
7	E	3083	3059	22.93
7	E	3083	3059	22.92
8	E	1644	1631	1614.31
8	E	1644	1631	1614.47
9	E	1436	1424	50.34
9	E	1436	1424	50.33
10	E	1158	1149	9.07
10	E	1158	1149	9.08
11	E	830	823	53.28
11	E	830	823	53.29
12	E	525	521	1378.82
12	E	525	521	1378.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.815
N2	0.000	0.000	0.726
H3	0.000	-1.048	-1.140
H4	-0.908	0.524	-1.140
H5	0.908	0.524	-1.140
H6	0.000	1.052	1.075
H7	-0.911	-0.526	1.075
H8	0.911	-0.526	1.075

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5409	1.0976	1.0976	1.0976	2.1631	2.1631	2.1631
N2	1.5409		2.1402	2.1402	2.1402	1.1085	1.1085	1.1085
H3	1.0976	2.1402		1.8159	1.8159	3.0525	2.4513	2.4513
H4	1.0976	2.1402	1.8159		1.8159	2.4513	2.4513	3.0525
H5	1.0976	2.1402	1.8159	1.8159		2.4513	3.0525	2.4513
H6	2.1631	1.1085	3.0525	2.4513	2.4513		1.8223	1.8223
H7	2.1631	1.1085	2.4513	2.4513	3.0525	1.8223		1.8223
H8	2.1631	1.1085	2.4513	3.0525	2.4513	1.8223	1.8223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.358	C1	N2	H7	108.358
C1	N2	H8	108.358	N2	C1	H3	107.217
N2	C1	H4	107.217	N2	C1	H5	107.217
H3	C1	H4	111.628	H3	C1	H5	111.628
H4	C1	H5	111.628	H6	N2	H7	110.561
H6	N2	H8	110.561	H7	N2	H8	110.561

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	-0.203
2	N	-0.189
3	H	0.106
4	H	0.106
5	H	0.106
6	H	0.024
7	H	0.024
8	H	0.024

	x	y	z	Total
	0.000	0.000	-0.913	0.913
CHELPG
AIM
ESP

<r²>	32.119
(<r²>)^1/2	5.667

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)