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	hartrees
Energy at 0K	-95.805572
Energy at 298.15K	-95.812481
HF Energy	-95.805572
Nuclear repulsion energy	46.688941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3001	2940	63.21
2	A₁	2472	2422	102.64
3	A₁	1297	1270	180.22
4	A₁	1122	1100	30.09
5	A₁	863	845	11.46
6	A₂	254	249	0.00
7	E	3113	3049	18.39
7	E	3113	3049	18.40
8	E	1838	1801	2252.19
8	E	1838	1801	2252.41
9	E	1439	1410	28.29
9	E	1439	1410	28.29
10	E	1180	1156	4.38
10	E	1180	1156	4.38
11	E	1009	989	378.42
11	E	1009	989	378.39
12	E	816	799	114.08
12	E	816	799	114.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.799
N2	0.000	0.000	0.712
H3	0.000	-1.049	-1.134
H4	-0.908	0.524	-1.134
H5	0.908	0.524	-1.134
H6	0.000	1.044	1.071
H7	-0.904	-0.522	1.071
H8	0.904	-0.522	1.071

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5106	1.1008	1.1008	1.1008	2.1420	2.1420	2.1420
N2	1.5106		2.1227	2.1227	2.1227	1.1040	1.1040	1.1040
H3	1.1008	2.1227		1.8161	1.8161	3.0401	2.4411	2.4411
H4	1.1008	2.1227	1.8161		1.8161	2.4411	2.4411	3.0401
H5	1.1008	2.1227	1.8161	1.8161		2.4411	3.0401	2.4411
H6	2.1420	1.1040	3.0401	2.4411	2.4411		1.8078	1.8078
H7	2.1420	1.1040	2.4411	2.4411	3.0401	1.8078		1.8078
H8	2.1420	1.1040	2.4411	3.0401	2.4411	1.8078	1.8078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.022	C1	N2	H7	109.022
C1	N2	H8	109.022	N2	C1	H3	107.723
N2	C1	H4	107.723	N2	C1	H5	107.723
H3	C1	H4	111.161	H3	C1	H5	111.161
H4	C1	H5	111.161	H6	N2	H7	109.916
H6	N2	H8	109.916	H7	N2	H8	109.916

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

using model chemistry: LSDA/6-31G

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	-0.401
2	N	-0.456
3	H	0.175
4	H	0.175
5	H	0.175
6	H	0.110
7	H	0.110
8	H	0.110

	x	y	z	Total
	0.000	0.000	-0.778	0.778
CHELPG
AIM
ESP

<r²>	31.727
(<r²>)^1/2	5.633

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

using model chemistry: LSDA/6-31G

States and conformations

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