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	hartrees
Energy at 0K	-115.671287
Energy at 298.15K	-115.675408
HF Energy	-115.671286
Nuclear repulsion energy	40.480213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3914	3728	32.96
2	A'	3148	2998	27.81
3	A'	3020	2877	49.65
4	A'	1520	1448	3.26
5	A'	1492	1421	4.25
6	A'	1388	1322	29.73
7	A'	1137	1083	44.31
8	A'	1074	1023	71.42
9	A"	3076	2930	61.10
10	A"	1505	1434	1.74
11	A"	1184	1128	1.07
12	A"	294	280	111.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.655	0.000
O2	-0.046	-0.752	0.000
H3	-1.090	0.974	0.000
H4	0.436	1.080	0.890
H5	0.436	1.080	-0.890
H6	0.863	-1.052	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4072	1.0917	1.0981	1.0981	1.9344
O2	1.4072		2.0169	2.0930	2.0930	0.9578
H3	1.0917	2.0169		1.7707	1.7707	2.8143
H4	1.0981	2.0930	1.7707		1.7807	2.3492
H5	1.0981	2.0930	1.7707	1.7807		2.3492
H6	1.9344	0.9578	2.8143	2.3492	2.3492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.254	O2	C1	H3	106.953
O2	C1	H4	112.738	O2	C1	H5	112.738
H3	C1	H4	107.919	H3	C1	H5	107.919
H4	C1	H5	108.357

All results from a given calculation for CH₃OH (Methyl alcohol)

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.214
2	O	-0.469
3	H	0.143
4	H	0.113
5	H	0.113
6	H	0.315

	x	y	z	Total
	1.343	0.806	0.000	1.567
CHELPG
AIM
ESP

	x	y	z
x	2.528	-0.147	0.000
y	-0.147	2.667	0.000
z	0.000	0.000	2.312

<r²>	23.317
(<r²>)^1/2	4.829

All results from a given calculation for CH3OH (Methyl alcohol)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃OH (Methyl alcohol)