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	hartrees
Energy at 0K	-96.292928
Energy at 298.15K
HF Energy	-96.292928
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3075	3075	49.58
2	A₁	2526	2526	82.41
3	A₁	1316	1316	117.31
4	A₁	1129	1129	13.15
5	A₁	842	842	26.70
6	A₂	289	289	0.00
7	E	3178	3178	12.98
7	E	3178	3178	12.99
8	E	1537	1537	1758.62
8	E	1537	1537	1757.35
9	E	1467	1467	382.99
9	E	1467	1467	382.68
10	E	1213	1213	6.22
10	E	1213	1213	6.19
11	E	860	860	6.50
11	E	860	860	6.51
12	E	510i	510i	4144.54
12	E	510i	510i	4147.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.793
N2	0.000	0.000	0.710
H3	0.000	-1.039	-1.125
H4	-0.900	0.519	-1.125
H5	0.900	0.519	-1.125
H6	0.000	1.035	1.056
H7	-0.897	-0.518	1.056
H8	0.897	-0.518	1.056

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5030	1.0907	1.0907	1.0907	2.1195	2.1195	2.1195
N2	1.5030		2.1085	2.1085	2.1085	1.0918	1.0918	1.0918
H3	1.0907	2.1085		1.7996	1.7996	3.0100	2.4152	2.4152
H4	1.0907	2.1085	1.7996		1.7996	2.4152	2.4152	3.0100
H5	1.0907	2.1085	1.7996	1.7996		2.4152	3.0100	2.4152
H6	2.1195	1.0918	3.0100	2.4152	2.4152		1.7933	1.7933
H7	2.1195	1.0918	2.4152	2.4152	3.0100	1.7933		1.7933
H8	2.1195	1.0918	2.4152	3.0100	2.4152	1.7933	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.499	C1	N2	H7	108.499
C1	N2	H8	108.499	N2	C1	H3	107.706
N2	C1	H4	107.706	N2	C1	H5	107.706
H3	C1	H4	111.177	H3	C1	H5	111.177
H4	C1	H5	111.177	H6	N2	H7	110.426
H6	N2	H8	110.426	H7	N2	H8	110.426

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.359
2	N	-0.118
3	H	0.145
4	H	0.145
5	H	0.145
6	H	0.014
7	H	0.014
8	H	0.014

	x	y	z	Total
	0.000	0.000	-1.036	1.036
CHELPG
AIM
ESP

<r²>	31.302
(<r²>)^1/2	5.595

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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