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	hartrees
Energy at 0K	-96.288357
Energy at 298.15K
HF Energy	-96.288357
Nuclear repulsion energy	46.941185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3083	2949	55.24
2	A₁	2486	2378	82.77
3	A₁	1329	1272	129.54
4	A₁	1129	1080	11.99
5	A₁	844	807	24.80
6	A₂	277	265	0.00
7	E	3181	3044	15.93
7	E	3181	3044	15.94
8	E	1580	1511	1915.12
8	E	1580	1511	1915.21
9	E	1484	1420	238.28
9	E	1484	1420	238.33
10	E	1216	1164	4.87
10	E	1216	1164	4.87
11	E	856	819	8.61
11	E	856	819	8.61
12	E	268i	256i	3418.86
12	E	268i	256i	3418.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.711
H3	0.000	-1.040	-1.129
H4	-0.901	0.520	-1.129
H5	0.901	0.520	-1.129
H6	0.000	1.039	1.061
H7	-0.900	-0.520	1.061
H8	0.900	-0.520	1.061

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5063	1.0920	1.0920	1.0920	2.1281	2.1281	2.1281
N2	1.5063		2.1132	2.1132	2.1132	1.0970	1.0970	1.0970
H3	1.0920	2.1132		1.8011	1.8011	3.0201	2.4246	2.4246
H4	1.0920	2.1132	1.8011		1.8011	2.4246	2.4246	3.0201
H5	1.0920	2.1132	1.8011	1.8011		2.4246	3.0201	2.4246
H6	2.1281	1.0970	3.0201	2.4246	2.4246		1.8003	1.8003
H7	2.1281	1.0970	2.4246	2.4246	3.0201	1.8003		1.8003
H8	2.1281	1.0970	2.4246	3.0201	2.4246	1.8003	1.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.645	C1	N2	H7	108.645
C1	N2	H8	108.645	N2	C1	H3	107.773
N2	C1	H4	107.773	N2	C1	H5	107.773
H3	C1	H4	111.114	H3	C1	H5	111.114
H4	C1	H5	111.115	H6	N2	H7	110.284
H6	N2	H8	110.284	H7	N2	H8	110.284

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

using model chemistry: B3PW91/6-31G*

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	-0.409
2	N	-0.410
3	H	0.181
4	H	0.181
5	H	0.181
6	H	0.092
7	H	0.092
8	H	0.092

<r²>	31.471
(<r²>)^1/2	5.610

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

using model chemistry: B3PW91/6-31G*

States and conformations

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