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	hartrees
Energy at 0K	-96.355366
Energy at 298.15K	-96.362493
HF Energy	-96.355366
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3086	2948	61.74
2	A₁	2847	2719	0.70
3	A₁	1372	1310	48.38
4	A₁	1264	1208	260.20
5	A₁	930	889	37.46
6	A₂	295	281	0.00
7	E	3183	3040	2.81
7	E	3183	3040	2.82
8	E	2459	2348	4346.22
8	E	2458	2348	4344.26
9	E	1492	1425	1.64
9	E	1492	1425	1.63
10	E	1395	1332	23.00
10	E	1395	1332	23.08
11	E	1209	1155	43.47
11	E	1209	1155	43.58
12	E	872	833	111.72
12	E	872	833	111.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.794
N2	0.000	0.000	0.702
H3	0.000	-1.033	-1.132
H4	-0.894	0.516	-1.132
H5	0.894	0.516	-1.132
H6	0.000	0.985	1.082
H7	-0.853	-0.493	1.082
H8	0.853	-0.493	1.082

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4963	1.0867	1.0867	1.0867	2.1195	2.1195	2.1195
N2	1.4963		2.1049	2.1049	2.1049	1.0560	1.0560	1.0560
H3	1.0867	2.1049		1.7889	1.7889	2.9960	2.4338	2.4338
H4	1.0867	2.1049	1.7889		1.7889	2.4338	2.4338	2.9960
H5	1.0867	2.1049	1.7889	1.7889		2.4338	2.9960	2.4338
H6	2.1195	1.0560	2.9960	2.4338	2.4338		1.7063	1.7063
H7	2.1195	1.0560	2.4338	2.4338	2.9960	1.7063		1.7063
H8	2.1195	1.0560	2.4338	2.9960	2.4338	1.7063	1.7063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.115	C1	N2	H7	111.115
C1	N2	H8	111.115	N2	C1	H3	108.110
N2	C1	H4	108.110	N2	C1	H5	108.110
H3	C1	H4	110.798	H3	C1	H5	110.798
H4	C1	H5	110.798	H6	N2	H7	107.779
H6	N2	H8	107.779	H7	N2	H8	107.779

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

using model chemistry: wB97X-D/Def2TZVPP

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	-0.078
2	N	0.575
3	H	0.065
4	H	0.065
5	H	0.065
6	H	-0.231
7	H	-0.231
8	H	-0.231

	x	y	z
x	15.523	0.000	0.000
y	0.000	15.517	0.001
z	0.000	0.001	8.713

<r²>	32.465
(<r²>)^1/2	5.698

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

using model chemistry: wB97X-D/Def2TZVPP

States and conformations

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