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	hartrees
Energy at 0K	-96.203387
Energy at 298.15K	-96.209135
HF Energy	-96.203387
Nuclear repulsion energy	46.557870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2994	2953	65.92
2	A₁	2394	2361	98.21
3	A₁	1253	1236	148.26
4	A₁	1068	1053	6.10
5	A₁	775	764	16.08
6	A₂	261	257	0.00
7	E	3096	3054	19.00
7	E	3096	3054	19.01
8	E	1613	1591	1847.11
8	E	1613	1590	1847.38
9	E	1421	1401	75.61
9	E	1421	1401	75.60
10	E	1158	1142	16.21
10	E	1158	1142	16.21
11	E	824	812	39.09
11	E	824	812	39.10
12	E	186	183	1992.28
12	E	186	183	1991.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.802
N2	0.000	0.000	0.719
H3	0.000	-1.049	-1.132
H4	-0.908	0.524	-1.132
H5	0.908	0.524	-1.132
H6	0.000	1.054	1.060
H7	-0.913	-0.527	1.060
H8	0.913	-0.527	1.060

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5212	1.0992	1.0992	1.0992	2.1396	2.1396	2.1396
N2	1.5212		2.1275	2.1275	2.1275	1.1075	1.1075	1.1075
H3	1.0992	2.1275		1.8161	1.8161	3.0372	2.4311	2.4311
H4	1.0992	2.1275	1.8161		1.8161	2.4311	2.4311	3.0372
H5	1.0992	2.1275	1.8161	1.8161		2.4311	3.0372	2.4311
H6	2.1396	1.1075	3.0372	2.4311	2.4311		1.8250	1.8250
H7	2.1396	1.1075	2.4311	2.4311	3.0372	1.8250		1.8250
H8	2.1396	1.1075	2.4311	3.0372	2.4311	1.8250	1.8250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	107.928	C1	N2	H7	107.928
C1	N2	H8	107.928	N2	C1	H3	107.466
N2	C1	H4	107.466	N2	C1	H5	107.466
H3	C1	H4	111.400	H3	C1	H5	111.400
H4	C1	H5	111.400	H6	N2	H7	110.969
H6	N2	H8	110.969	H7	N2	H8	110.969

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

using model chemistry: PBEPBE/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	-0.284
2	N	-0.226
3	H	0.132
4	H	0.132
5	H	0.132
6	H	0.038
7	H	0.038
8	H	0.038

	x	y	z	Total
	0.000	0.000	-0.877	0.877
CHELPG
AIM
ESP

<r²>	31.754
(<r²>)^1/2	5.635

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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