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	hartrees
Energy at 0K	-95.715566
Energy at 298.15K	-95.722840
HF Energy	-95.715566
Nuclear repulsion energy	48.058790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3219	40.42
2	A₁	3185	3185	6.58
3	A₁	1532	1532	4.19
4	A₁	1468	1468	402.24
5	A₁	1014	1014	54.21
6	A₂	319	319	0.00
7	E	3311	3311	0.30
7	E	3311	3311	0.30
8	E	2923	2923	5650.24
8	E	2923	2923	5650.25
9	E	1624	1624	40.35
9	E	1624	1624	40.35
10	E	1598	1598	233.90
10	E	1598	1598	233.90
11	E	1350	1350	14.04
11	E	1350	1350	14.03
12	E	953	953	195.41
12	E	953	953	195.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.791
N2	0.000	0.000	0.699
H3	0.000	-1.024	-1.130
H4	-0.886	0.512	-1.130
H5	0.886	0.512	-1.130
H6	0.000	0.958	1.080
H7	-0.830	-0.479	1.080
H8	0.830	-0.479	1.080

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.4898	1.0785	1.0785	1.0785	2.1018	2.1018	2.1018
N2	1.4898		2.0965	2.0965	2.0965	1.0310	1.0310	1.0310
H3	1.0785	2.0965		1.7728	1.7728	2.9687	2.4231	2.4231
H4	1.0785	2.0965	1.7728		1.7728	2.4231	2.4231	2.9687
H5	1.0785	2.0965	1.7728	1.7728		2.4231	2.9687	2.4231
H6	2.1018	1.0310	2.9687	2.4231	2.4231		1.6594	1.6594
H7	2.1018	1.0310	2.4231	2.4231	2.9687	1.6594		1.6594
H8	2.1018	1.0310	2.4231	2.9687	2.4231	1.6594	1.6594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	111.684	C1	N2	H7	111.684
C1	N2	H8	111.684	N2	C1	H3	108.364
N2	C1	H4	108.364	N2	C1	H5	108.364
H3	C1	H4	110.556	H3	C1	H5	110.556
H4	C1	H5	110.556	H6	N2	H7	107.171
H6	N2	H8	107.171	H7	N2	H8	107.171

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

using model chemistry: ROHF/TZVP

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	0.007
2	N	0.455
3	H	0.045
4	H	0.045
5	H	0.045
6	H	-0.199
7	H	-0.199
8	H	-0.199

	x	y	z	Total
	0.000	0.000	-2.052	2.052
CHELPG
AIM
ESP

<r²>	32.503
(<r²>)^1/2	5.701

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

using model chemistry: ROHF/TZVP

States and conformations

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