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	hartrees
Energy at 0K	-115.562625
Energy at 298.15K	-115.566749
HF Energy	-115.092324
Nuclear repulsion energy	40.412211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3877	3688	40.21
2	A'	3182	3027	18.10
3	A'	3069	2920	53.95
4	A'	1547	1472	5.40
5	A'	1498	1425	3.24
6	A'	1377	1310	21.07
7	A'	1095	1042	3.14
8	A'	1064	1012	116.62
9	A"	3125	2973	38.89
10	A"	1536	1462	3.06
11	A"	1197	1139	0.39
12	A"	294	280	104.06

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.660	0.000
O2	-0.046	-0.753	0.000
H3	-1.084	0.974	0.000
H4	0.435	1.074	0.886
H5	0.435	1.074	-0.886
H6	0.861	-1.061	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4129	1.0839	1.0898	1.0898	1.9451
O2	1.4129		2.0145	2.0865	2.0865	0.9577
H3	1.0839	2.0145		1.7610	1.7610	2.8143
H4	1.0898	2.0865	1.7610		1.7719	2.3501
H5	1.0898	2.0865	1.7610	1.7719		2.3501
H6	1.9451	0.9577	2.8143	2.3501	2.3501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.757	O2	C1	H3	106.836
O2	C1	H4	112.318	O2	C1	H5	112.318
H3	C1	H4	108.218	H3	C1	H5	108.218
H4	C1	H5	108.763

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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