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	hartrees
Energy at 0K	-95.092010
Energy at 298.15K
HF Energy	-95.092010
Nuclear repulsion energy	46.566896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	2951	18.42
2	A₁	2500	2272	77.51
3	A₁	1486	1350	80.97
4	A₁	1168	1061	0.24
5	A₁	798	725	0.00
6	A₂	275	250	0.00
7	E	3339	3033	12.83
7	E	3339	3033	12.83
8	E	1658	1506	1.59
8	E	1658	1506	1.59
9	E	1318	1197	291.06
9	E	1318	1197	291.07
10	E	1276	1159	18.66
10	E	1276	1159	18.66
11	E	916	832	0.03
11	E	916	832	0.03
12	E	2827i	2569i	25254.41
12	E	2827i	2569i	25254.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.815
N2	0.000	0.000	0.726
H3	0.000	-1.027	-1.142
H4	-0.889	0.513	-1.142
H5	0.889	0.513	-1.142
H6	0.000	1.043	1.079
H7	-0.903	-0.522	1.079
H8	0.903	-0.522	1.079

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5407	1.0774	1.0774	1.0774	2.1619	2.1619	2.1619
N2	1.5407		2.1314	2.1314	2.1314	1.1013	1.1013	1.1013
H3	1.0774	2.1314		1.7780	1.7780	3.0357	2.4501	2.4501
H4	1.0774	2.1314	1.7780		1.7780	2.4501	2.4501	3.0357
H5	1.0774	2.1314	1.7780	1.7780		2.4501	3.0357	2.4501
H6	2.1619	1.1013	3.0357	2.4501	2.4501		1.8070	1.8070
H7	2.1619	1.1013	2.4501	2.4501	3.0357	1.8070		1.8070
H8	2.1619	1.1013	2.4501	3.0357	2.4501	1.8070	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.686	C1	N2	H7	108.686
C1	N2	H8	108.686	N2	C1	H3	107.678
N2	C1	H4	107.678	N2	C1	H5	107.678
H3	C1	H4	111.204	H3	C1	H5	111.204
H4	C1	H5	111.204	H6	N2	H7	110.245
H6	N2	H8	110.245	H7	N2	H8	110.245

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

using model chemistry: ROHF/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	-0.440
2	N	-0.590
3	H	0.223
4	H	0.223
5	H	0.223
6	H	0.120
7	H	0.120
8	H	0.120

	x	y	z	Total
	0.000	0.000	-1.403	1.403
CHELPG
AIM
ESP

<r²>	31.788
(<r²>)^1/2	5.638

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

using model chemistry: ROHF/3-21G*

States and conformations

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