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	hartrees
Energy at 0K	-96.344049
Energy at 298.15K	-96.351128
HF Energy	-96.344049
Nuclear repulsion energy	47.367237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3057	2944	85.21
2	A₁	2749	2648	30.29
3	A₁	1348	1298	102.49
4	A₁	1231	1185	182.97
5	A₁	911	877	44.19
6	A₂	279	269	0.00
7	E	3155	3039	10.18
7	E	3155	3039	10.18
8	E	2240	2157	5047.76
8	E	2240	2157	5049.34
9	E	1467	1413	9.23
9	E	1467	1413	9.23
10	E	1333	1284	4.09
10	E	1333	1284	4.09
11	E	1178	1134	164.47
11	E	1178	1134	164.40
12	E	854	823	121.99
12	E	854	823	122.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.796
N2	0.000	0.000	0.705
H3	0.000	-1.037	-1.131
H4	-0.898	0.519	-1.131
H5	0.898	0.519	-1.131
H6	0.000	0.999	1.078
H7	-0.865	-0.500	1.078
H8	0.865	-0.500	1.078

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5001	1.0899	1.0899	1.0899	2.1233	2.1233	2.1233
N2	1.5001		2.1080	2.1080	2.1080	1.0666	1.0666	1.0666
H3	1.0899	2.1080		1.7964	1.7964	3.0040	2.4322	2.4322
H4	1.0899	2.1080	1.7964		1.7964	2.4322	2.4322	3.0040
H5	1.0899	2.1080	1.7964	1.7964		2.4322	3.0040	2.4322
H6	2.1233	1.0666	3.0040	2.4322	2.4322		1.7305	1.7305
H7	2.1233	1.0666	2.4322	2.4322	3.0040	1.7305		1.7305
H8	2.1233	1.0666	2.4322	3.0040	2.4322	1.7305	1.7305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	110.495	C1	N2	H7	110.495
C1	N2	H8	110.495	N2	C1	H3	107.906
N2	C1	H4	107.906	N2	C1	H5	107.906
H3	C1	H4	110.990	H3	C1	H5	110.990
H4	C1	H5	110.990	H6	N2	H7	108.429
H6	N2	H8	108.429	H7	N2	H8	108.429

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

using model chemistry: B3PW91/6-311G**

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	-0.191
2	N	-0.117
3	H	0.124
4	H	0.124
5	H	0.124
6	H	-0.021
7	H	-0.021
8	H	-0.021

<r²>	32.109
(<r²>)^1/2	5.667

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

using model chemistry: B3PW91/6-311G**

States and conformations

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