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	hartrees
Energy at 0K	-115.450495
Energy at 298.15K	-115.454633
HF Energy	-115.060882
Nuclear repulsion energy	40.020169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3861	3861	26.99
2	A'	3150	3150	26.70
3	A'	3028	3028	56.19
4	A'	1506	1506	4.08
5	A'	1475	1475	5.26
6	A'	1386	1386	26.91
7	A'	1083	1083	1.86
8	A'	1061	1061	106.32
9	A"	3091	3091	51.66
10	A"	1494	1494	2.16
11	A"	1175	1175	0.81
12	A"	312	312	105.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.669	0.000
O2	-0.047	-0.762	0.000
H3	-1.100	0.983	0.000
H4	0.444	1.081	0.900
H5	0.444	1.081	-0.900
H6	0.868	-1.062	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4304	1.0995	1.1050	1.1050	1.9578
O2	1.4304		2.0386	2.1087	2.1087	0.9632
H3	1.0995	2.0386		1.7899	1.7899	2.8390
H4	1.1050	2.1087	1.7899		1.8005	2.3629
H5	1.1050	2.1087	1.7899	1.8005		2.3629
H6	1.9578	0.9632	2.8390	2.3629	2.3629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	108.167	O2	C1	H3	106.642
O2	C1	H4	111.906	O2	C1	H5	111.906
H3	C1	H4	108.571	H3	C1	H5	108.571
H4	C1	H5	109.115

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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