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	hartrees
Energy at 0K	-96.218509
Energy at 298.15K	-96.224397
HF Energy	-96.218509
Nuclear repulsion energy	47.109946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3082	2941	57.84
2	A₁	2528	2412	88.98
3	A₁	1322	1261	131.16
4	A₁	1127	1075	9.60
5	A₁	859	820	29.43
6	A₂	278	266	0.00
7	E	3186	3040	14.70
7	E	3186	3040	14.71
8	E	1626	1552	2325.68
8	E	1626	1552	2326.48
9	E	1474	1406	123.77
9	E	1474	1406	123.70
10	E	1218	1162	6.55
10	E	1218	1162	6.55
11	E	856	817	11.02
11	E	856	817	11.02
12	E	200	191	2998.03
12	E	200	191	2999.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.791
N2	0.000	0.000	0.709
H3	0.000	-1.039	-1.126
H4	-0.899	0.519	-1.126
H5	0.899	0.519	-1.126
H6	0.000	1.035	1.054
H7	-0.897	-0.518	1.054
H8	0.897	-0.518	1.054

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5005	1.0911	1.0911	1.0911	2.1156	2.1156	2.1156
N2	1.5005		2.1083	2.1083	2.1083	1.0912	1.0912	1.0912
H3	1.0911	2.1083		1.7990	1.7990	3.0084	2.4133	2.4133
H4	1.0911	2.1083	1.7990		1.7990	2.4133	2.4133	3.0084
H5	1.0911	2.1083	1.7990	1.7990		2.4133	3.0084	2.4133
H6	2.1156	1.0912	3.0084	2.4133	2.4133		1.7934	1.7934
H7	2.1156	1.0912	2.4133	2.4133	3.0084	1.7934		1.7934
H8	2.1156	1.0912	2.4133	3.0084	2.4133	1.7934	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	108.400	C1	N2	H7	108.400
C1	N2	H8	108.400	N2	C1	H3	107.837
N2	C1	H4	107.837	N2	C1	H5	107.837
H3	C1	H4	111.055	H3	C1	H5	111.055
H4	C1	H5	111.055	H6	N2	H7	110.521
H6	N2	H8	110.521	H7	N2	H8	110.521

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

using model chemistry: HSEh1PBE/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	-0.294
2	N	-0.247
3	H	0.141
4	H	0.141
5	H	0.141
6	H	0.039
7	H	0.039
8	H	0.039

	x	y	z	Total
	0.000	0.000	-0.975	0.975
CHELPG
AIM
ESP

<r²>	31.305
(<r²>)^1/2	5.595

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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