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	hartrees
Energy at 0K	-95.692985
Energy at 298.15K	-95.700259
HF Energy	-95.692985
Nuclear repulsion energy	48.255316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3373	2887	51.44
2	A₁	3264	2794	17.67
3	A₁	1568	1342	12.28
4	A₁	1557	1333	722.59
5	A₁	1046	896	53.72
6	A₂	306	262	0.00
7	E	3387	2899	974.82
7	E	3387	2899	974.82
8	E	3357	2873	23.79
8	E	3357	2873	23.79
9	E	1727	1478	279.75
9	E	1727	1478	279.75
10	E	1631	1396	14.59
10	E	1631	1396	14.59
11	E	1370	1173	14.55
11	E	1370	1173	14.55
12	E	966	827	70.29
12	E	966	827	70.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.787
N2	0.000	0.000	0.696
H3	0.000	-1.022	-1.131
H4	-0.885	0.511	-1.131
H5	0.885	0.511	-1.131
H6	0.000	0.947	1.081
H7	-0.820	-0.473	1.081
H8	0.820	-0.473	1.081

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4832	1.0786	1.0786	1.0786	2.0945	2.0945	2.0945
N2	1.4832		2.0936	2.0936	2.0936	1.0221	1.0221	1.0221
H3	1.0786	2.0936		1.7708	1.7708	2.9616	2.4223	2.4223
H4	1.0786	2.0936	1.7708		1.7708	2.4223	2.4223	2.9616
H5	1.0786	2.0936	1.7708	1.7708		2.4223	2.9616	2.4223
H6	2.0945	1.0221	2.9616	2.4223	2.4223		1.6398	1.6398
H7	2.0945	1.0221	2.4223	2.4223	2.9616	1.6398		1.6398
H8	2.0945	1.0221	2.4223	2.9616	2.4223	1.6398	1.6398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	112.138	C1	N2	H7	112.138
C1	N2	H8	112.138	N2	C1	H3	108.588
N2	C1	H4	108.588	N2	C1	H5	108.588
H3	C1	H4	110.340	H3	C1	H5	110.340
H4	C1	H5	110.339	H6	N2	H7	106.678
H6	N2	H8	106.678	H7	N2	H8	106.678

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

using model chemistry: ROHF/6-31+G**

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	-2.034
2	N	-0.066
3	H	0.246
4	H	0.246
5	H	0.246
6	H	0.454
7	H	0.454
8	H	0.454

	x	y	z	Total
	0.000	0.000	-2.019	2.019
CHELPG
AIM
ESP

<r²>	34.354
(<r²>)^1/2	5.861

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

using model chemistry: ROHF/6-31+G**

States and conformations

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