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	hartrees
Energy at 0K	-95.108957
Energy at 298.15K
HF Energy	-95.108957
Nuclear repulsion energy	36.668071

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3269	3269	46.70
2	A₁	3247	3247	2.31
3	A₁	1362	1362	0.01
4	A₁	540	540	4.72
5	A₁	139	139	5.15
6	A₁	15	15	0.00
7	E	3546	3546	24.01
7	E	3546	3546	24.01
8	E	3511	3511	3.42
8	E	3511	3511	3.42
9	E	1899	1899	1.06
9	E	1899	1899	1.05
10	E	1547	1547	0.05
10	E	1547	1547	0.05
11	E	247	247	0.19
11	E	247	247	0.19
12	E	24i	24i	74.04
12	E	24i	24i	74.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.494
N2	0.000	0.000	1.244
H3	0.000	-1.085	-1.660
H4	-0.940	0.543	-1.660
H5	0.940	0.543	-1.660
H6	0.000	0.948	1.745
H7	-0.821	-0.474	1.745
H8	0.821	-0.474	1.745

	C1	N2	H3	H4	H5	H6	H7	H8
C1		2.7372	1.0981	1.0981	1.0981	3.3745	3.3745	3.3745
N2	2.7372		3.0999	3.0999	3.0999	1.0724	1.0724	1.0724
H3	1.0981	3.0999		1.8801	1.8801	3.9660	3.5555	3.5555
H4	1.0981	3.0999	1.8801		1.8801	3.5555	3.5555	3.9660
H5	1.0981	3.0999	1.8801	1.8801		3.5555	3.9660	3.5555
H6	3.3745	1.0724	3.9660	3.5555	3.5555		1.6420	1.6420
H7	3.3745	1.0724	3.5555	3.5555	3.9660	1.6420		1.6420
H8	3.3745	1.0724	3.5555	3.9660	3.5555	1.6420	1.6420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	117.874	C1	N2	H7	117.874
C1	N2	H8	117.874	N2	C1	H3	98.715
N2	C1	H4	98.715	N2	C1	H5	98.715
H3	C1	H4	117.747	H3	C1	H5	117.747
H4	C1	H5	117.747	H6	N2	H7	99.912
H6	N2	H8	99.912	H7	N2	H8	99.912

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

using model chemistry: B97D3/STO-3G

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	-0.192
2	N	-0.400
3	H	0.052
4	H	0.052
5	H	0.052
6	H	0.145
7	H	0.145
8	H	0.145

	x	y	z	Total
	0.000	0.000	2.226	2.226
CHELPG
AIM
ESP

<r²>	55.161
(<r²>)^1/2	7.427

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

using model chemistry: B97D3/STO-3G

States and conformations

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