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	hartrees
Energy at 0K	-18.473106
Energy at 298.15K
HF Energy	-18.473106
Nuclear repulsion energy	30.566515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	2917	68.44
2	A₁	2617	2350	499.91
3	A₁	1483	1332	18.52
4	A₁	1251	1124	12.54
5	A₁	827	743	16.02
6	A₂	288	259	0.00
7	E	3333	2993	3.29
7	E	3333	2993	3.29
8	E	1613	1449	4.43
8	E	1613	1449	4.43
9	E	1416	1271	499.15
9	E	1416	1271	499.15
10	E	1275	1145	135.04
10	E	1275	1145	135.04
11	E	935	840	0.24
11	E	935	840	0.24
12	E	2634i	2365i	22722.00
12	E	2634i	2365i	22722.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.794
N2	0.000	0.000	0.713
H3	0.000	-1.028	-1.146
H4	-0.891	0.514	-1.146
H5	0.891	0.514	-1.146
H6	0.000	1.018	1.071
H7	-0.882	-0.509	1.071
H8	0.882	-0.509	1.071

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5062	1.0871	1.0871	1.0871	2.1242	2.1242	2.1242
N2	1.5062		2.1240	2.1240	2.1240	1.0794	1.0794	1.0794
H3	1.0871	2.1240		1.7814	1.7814	3.0169	2.4412	2.4412
H4	1.0871	2.1240	1.7814		1.7814	2.4412	2.4412	3.0169
H5	1.0871	2.1240	1.7814	1.7814		2.4412	3.0169	2.4412
H6	2.1242	1.0794	3.0169	2.4412	2.4412		1.7637	1.7637
H7	2.1242	1.0794	2.4412	2.4412	3.0169	1.7637		1.7637
H8	2.1242	1.0794	2.4412	3.0169	2.4412	1.7637	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.372	C1	N2	H7	109.372
C1	N2	H8	109.372	N2	C1	H3	108.900
N2	C1	H4	108.900	N2	C1	H5	108.900
H3	C1	H4	110.037	H3	C1	H5	110.037
H4	C1	H5	110.037	H6	N2	H7	109.571
H6	N2	H8	109.571	H7	N2	H8	109.571

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

using model chemistry: HF/CEP-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	-0.610
2	N	-0.013
3	H	0.163
4	H	0.163
5	H	0.163
6	H	0.045
7	H	0.045
8	H	0.045

	x	y	z	Total
	0.000	0.000	-0.618	0.618
CHELPG
AIM
ESP

<r²>	29.208
(<r²>)^1/2	5.404

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

using model chemistry: HF/CEP-31G*

States and conformations

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