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	hartrees
Energy at 0K	-96.303764
Energy at 298.15K	-96.310618
HF Energy	-96.303764
Nuclear repulsion energy	46.486463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	2963	47.90
2	A₁	2465	2372	96.38
3	A₁	1349	1298	133.85
4	A₁	1160	1116	26.43
5	A₁	762	733	4.03
6	A₂	250	240	0.00
7	E	3184	3063	19.50
7	E	3184	3063	19.49
8	E	1655	1592	2398.99
8	E	1655	1592	2399.31
9	E	1511	1454	59.12
9	E	1511	1454	59.11
10	E	1215	1169	0.12
10	E	1215	1169	0.12
11	E	912	877	771.42
11	E	912	877	771.25
12	E	831	799	858.18
12	E	831	799	858.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.815
N2	0.000	0.000	0.724
H3	0.000	-1.040	-1.144
H4	-0.901	0.520	-1.144
H5	0.901	0.520	-1.144
H6	0.000	1.035	1.086
H7	-0.897	-0.518	1.086
H8	0.897	-0.518	1.086

	C1	N2	H3	H4	H5	H6	H7	H8
C1		1.5388	1.0906	1.0906	1.0906	2.1649	2.1649	2.1649
N2	1.5388		2.1373	2.1373	2.1373	1.0969	1.0969	1.0969
H3	1.0906	2.1373		1.8012	1.8012	3.0461	2.4594	2.4594
H4	1.0906	2.1373	1.8012		1.8012	2.4594	2.4594	3.0461
H5	1.0906	2.1373	1.8012	1.8012		2.4594	3.0461	2.4594
H6	2.1649	1.0969	3.0461	2.4594	2.4594		1.7931	1.7931
H7	2.1649	1.0969	2.4594	2.4594	3.0461	1.7931		1.7931
H8	2.1649	1.0969	2.4594	3.0461	2.4594	1.7931	1.7931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.299	C1	N2	H7	109.299
C1	N2	H8	109.299	N2	C1	H3	107.529
N2	C1	H4	107.529	N2	C1	H5	107.529
H3	C1	H4	111.341	H3	C1	H5	111.341
H4	C1	H5	111.341	H6	N2	H7	109.643
H6	N2	H8	109.643	H7	N2	H8	109.643

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

using model chemistry: B3LYP/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	-0.297
2	N	-0.400
3	H	0.152
4	H	0.152
5	H	0.152
6	H	0.081
7	H	0.081
8	H	0.081

	x	y	z	Total
	0.000	0.000	-1.044	1.044
CHELPG
AIM
ESP

<r²>	32.067
(<r²>)^1/2	5.663

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

using model chemistry: B3LYP/6-31G

States and conformations

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