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	hartrees
Energy at 0K	-95.749716
Energy at 298.15K	-95.756980
HF Energy	-95.749716
Nuclear repulsion energy	48.277237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3425	3099	4013.03
2	A	3425	3099	4013.03
3	A	3418	3092	206.50
4	A	3310	2995	4.85
5	A	3310	2995	4.85
6	A	3217	2910	10.71
7	A	1706	1544	1081.08
8	A	1706	1544	1081.08
9	A	1613	1459	11.75
10	A	1613	1459	11.75
11	A	1584	1433	626.91
12	A	1558	1409	203.36
13	A	1374	1243	9.86
14	A	1374	1243	9.86
15	A	1024	926	45.78
16	A	965	873	206.40
17	A	965	873	206.40
18	A	301	273	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.790	0.000	0.000
N2	0.699	0.000	0.000
H3	-1.131	0.019	1.022
H4	-1.131	0.875	-0.527
H5	-1.131	-0.894	-0.494
H6	1.080	-0.018	-0.942
H7	1.080	0.825	0.456
H8	1.080	-0.807	0.486

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4888	1.0772	1.0772	1.0772	2.0934	2.0934	2.0934
N2	1.4888		2.0958	2.0958	2.0958	1.0163	1.0163	1.0163
H3	1.0772	2.0958		1.7696	1.7696	2.9570	2.4197	2.4197
H4	1.0772	2.0958	1.7696		1.7696	2.4197	2.4197	2.9570
H5	1.0772	2.0958	1.7696	1.7696		2.4197	2.9570	2.4197
H6	2.0934	1.0163	2.9570	2.4197	2.4197		1.6323	1.6323
H7	2.0934	1.0163	2.4197	2.4197	2.9570	1.6323		1.6323
H8	2.0934	1.0163	2.4197	2.9570	2.4197	1.6323	1.6323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.989	C1	N2	H7	111.989
C1	N2	H8	111.989	N2	C1	H3	108.464
N2	C1	H4	108.464	N2	C1	H5	108.464
H3	C1	H4	110.459	H3	C1	H5	110.459
H4	C1	H5	110.459	H6	N2	H7	106.840
H6	N2	H8	106.840	H7	N2	H8	106.840

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

using model chemistry: HF/daug-cc-pVTZ

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	-2.011
2	N	0.102
3	H	0.709
4	H	0.709
5	H	0.709
6	H	-0.072
7	H	-0.072
8	H	-0.072

<r²>	37.470
(<r²>)^1/2	6.121

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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