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	hartrees
Energy at 0K	-95.645708
Energy at 298.15K
HF Energy	-95.645708
Nuclear repulsion energy	47.658236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3230	2915	36.25
2	A₁	2750	2482	45.81
3	A₁	1499	1353	45.81
4	A₁	1244	1123	33.09
5	A₁	971	877	62.97
6	A₂	308	278	0.00
7	E	3323	2999	11.81
7	E	3323	2999	11.81
8	E	1622	1464	11.25
8	E	1622	1464	11.25
9	E	1450	1309	1381.63
9	E	1450	1309	1381.63
10	E	1350	1218	39.88
10	E	1350	1218	39.88
11	E	952	859	8.44
11	E	952	859	8.44
12	E	1689i	1524i	19926.83
12	E	1689i	1524i	19926.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.787
N2	0.000	0.000	0.702
H3	0.000	-1.025	-1.128
H4	-0.887	0.512	-1.128
H5	0.887	0.512	-1.128
H6	0.000	1.003	1.063
H7	-0.869	-0.501	1.063
H8	0.869	-0.501	1.063

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4883	1.0799	1.0799	1.0799	2.1044	2.1044	2.1044
N2	1.4883		2.0969	2.0969	2.0969	1.0662	1.0662	1.0662
H3	1.0799	2.0969		1.7746	1.7746	2.9853	2.4144	2.4144
H4	1.0799	2.0969	1.7746		1.7746	2.4144	2.4144	2.9853
H5	1.0799	2.0969	1.7746	1.7746		2.4144	2.9853	2.4144
H6	2.1044	1.0662	2.9853	2.4144	2.4144		1.7371	1.7371
H7	2.1044	1.0662	2.4144	2.4144	2.9853	1.7371		1.7371
H8	2.1044	1.0662	2.4144	2.9853	2.4144	1.7371	1.7371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.832	C1	N2	H7	109.832
C1	N2	H8	109.832	N2	C1	H3	108.419
N2	C1	H4	108.419	N2	C1	H5	108.419
H3	C1	H4	110.503	H3	C1	H5	110.503
H4	C1	H5	110.503	H6	N2	H7	109.108
H6	N2	H8	109.108	H7	N2	H8	109.108

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

using model chemistry: HF/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	-0.197
2	N	-0.256
3	H	0.132
4	H	0.132
5	H	0.132
6	H	0.019
7	H	0.019
8	H	0.019

	x	y	z	Total
	0.000	0.000	-1.386	1.386
CHELPG
AIM
ESP

<r²>	31.188
(<r²>)^1/2	5.585

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

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

States and conformations

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