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	hartrees
Energy at 0K	-95.062466
Energy at 298.15K	-95.065847
HF Energy	-95.062466
Nuclear repulsion energy	37.024860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	2994	43.61
2	A₁	3218	2977	4.00
3	A₁	1307	1209	0.82
4	A₁	573	530	2.29
5	A₁	154	142	8.46
6	A₂	38	35	0.00
7	E	3508	3245	24.77
7	E	3508	3245	24.77
8	E	3474	3214	4.16
8	E	3474	3214	4.16
9	E	1874	1734	1.18
9	E	1874	1734	1.18
10	E	1544	1429	0.06
10	E	1544	1429	0.06
11	E	265	245	0.17
11	E	265	245	0.17
12	E	75	69	73.03
12	E	75	69	73.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.448
N2	0.000	0.000	1.208
H3	0.000	-1.086	-1.626
H4	-0.940	0.543	-1.626
H5	0.940	0.543	-1.626
H6	0.000	0.956	1.703
H7	-0.828	-0.478	1.703
H8	0.828	-0.478	1.703

	C1	N2	H3	H4	H5	H6	H7	H8
C1		2.6570	1.1003	1.1003	1.1003	3.2930	3.2930	3.2930
N2	2.6570		3.0351	3.0351	3.0351	1.0760	1.0760	1.0760
H3	1.1003	3.0351		1.8809	1.8809	3.9047	3.4833	3.4833
H4	1.1003	3.0351	1.8809		1.8809	3.4833	3.4833	3.9047
H5	1.1003	3.0351	1.8809	1.8809		3.4833	3.9047	3.4833
H6	3.2930	1.0760	3.9047	3.4833	3.4833		1.6554	1.6554
H7	3.2930	1.0760	3.4833	3.4833	3.9047	1.6554		1.6554
H8	3.2930	1.0760	3.4833	3.9047	3.4833	1.6554	1.6554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	117.346	C1	N2	H7	117.346
C1	N2	H8	117.346	N2	C1	H3	99.269
N2	C1	H4	99.269	N2	C1	H5	99.269
H3	C1	H4	117.457	H3	C1	H5	117.457
H4	C1	H5	117.457	H6	N2	H7	100.573
H6	N2	H8	100.573	H7	N2	H8	100.573

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

using model chemistry: BLYP/STO-3G

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	-0.200
2	N	-0.389
3	H	0.049
4	H	0.049
5	H	0.049
6	H	0.147
7	H	0.147
8	H	0.147

	x	y	z	Total
	0.000	0.000	2.399	2.399
CHELPG
AIM
ESP

<r²>	53.060
(<r²>)^1/2	7.284

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

using model chemistry: BLYP/STO-3G

States and conformations

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