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	hartrees
Energy at 0K	-96.333946
Energy at 298.15K
HF Energy	-96.333946
Nuclear repulsion energy	46.820004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3048	2941	63.62
2	A₁	2370	2287	94.79
3	A₁	1312	1266	112.83
4	A₁	1085	1047	4.54
5	A₁	825	796	22.32
6	A₂	272	262	0.00
7	E	3148	3038	18.78
7	E	3148	3038	18.80
8	E	1500	1447	461.81
8	E	1500	1447	461.16
9	E	1440	1390	991.73
9	E	1440	1390	993.01
10	E	1203	1161	28.36
10	E	1203	1161	28.37
11	E	847	818	29.93
11	E	847	818	29.94
12	E	1201i	1159i	5659.03
12	E	1201i	1159i	5661.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.803
N2	0.000	0.000	0.710
H3	0.000	-1.043	-1.124
H4	-0.903	0.521	-1.124
H5	0.903	0.521	-1.124
H6	0.000	1.023	1.072
H7	-0.886	-0.512	1.072
H8	0.886	-0.512	1.072

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5133	1.0911	1.0911	1.0911	2.1360	2.1360	2.1360
N2	1.5133		2.1103	2.1103	2.1103	1.0855	1.0855	1.0855
H3	1.0911	2.1103		1.8059	1.8059	3.0154	2.4272	2.4272
H4	1.0911	2.1103	1.8059		1.8059	2.4272	2.4272	3.0154
H5	1.0911	2.1103	1.8059	1.8059		2.4272	3.0154	2.4272
H6	2.1360	1.0855	3.0154	2.4272	2.4272		1.7727	1.7727
H7	2.1360	1.0855	2.4272	2.4272	3.0154	1.7727		1.7727
H8	2.1360	1.0855	2.4272	3.0154	2.4272	1.7727	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.459	C1	N2	H7	109.459
C1	N2	H8	109.459	N2	C1	H3	107.137
N2	C1	H4	107.137	N2	C1	H5	107.137
H3	C1	H4	111.701	H3	C1	H5	111.701
H4	C1	H5	111.701	H6	N2	H7	109.483
H6	N2	H8	109.483	H7	N2	H8	109.483

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

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.353
2	N	-0.132
3	H	0.145
4	H	0.145
5	H	0.145
6	H	0.017
7	H	0.017
8	H	0.017

	x	y	z	Total
	0.000	0.000	-1.004	1.004
CHELPG
AIM
ESP

<r²>	31.456
(<r²>)^1/2	5.609

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

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

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