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	hartrees
Energy at 0K	-115.463894
Energy at 298.15K	-115.468075
HF Energy	-115.053944
Nuclear repulsion energy	40.480248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3910	3675	32.28
2	A'	3218	3025	21.17
3	A'	3080	2895	44.24
4	A'	1562	1468	3.09
5	A'	1519	1428	3.84
6	A'	1409	1324	25.44
7	A'	1124	1056	9.57
8	A'	1086	1020	100.50
9	A"	3150	2960	50.70
10	A"	1548	1455	2.02
11	A"	1205	1132	0.54
12	A"	338	318	110.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.656	0.000
O2	-0.046	-0.753	0.000
H3	-1.088	0.966	0.000
H4	0.432	1.083	0.886
H5	0.432	1.083	-0.886
H6	0.867	-1.037	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4090	1.0870	1.0936	1.0936	1.9235
O2	1.4090		2.0107	2.0940	2.0940	0.9564
H3	1.0870	2.0107		1.7627	1.7627	2.7994
H4	1.0936	2.0940	1.7627		1.7725	2.3387
H5	1.0936	2.0940	1.7627	1.7725		2.3387
H6	1.9235	0.9564	2.7994	2.3387	2.3387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.268	O2	C1	H3	106.619
O2	C1	H4	112.986	O2	C1	H5	112.986
H3	C1	H4	107.869	H3	C1	H5	107.869
H4	C1	H5	108.266

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CH3OH (Methyl alcohol)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

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