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	hartrees
Energy at 0K	-23.945354
Energy at 298.15K	-23.949497
Nuclear repulsion energy	24.822787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3772	3612	8.25
2	A'	3189	3053	45.64
3	A'	3030	2902	80.21
4	A'	1506	1442	6.25
5	A'	1483	1420	1.44
6	A'	1328	1271	19.94
7	A'	1068	1022	1.48
8	A'	1019	976	124.57
9	A"	3107	2975	112.51
10	A"	1496	1432	4.92
11	A"	1145	1096	0.07
12	A"	338	324	195.71

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.682	0.000
O2	-0.046	-0.770	0.000
H3	-1.101	0.986	0.000
H4	0.441	1.100	0.901
H5	0.441	1.100	-0.901
H6	0.868	-1.120	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4525	1.0978	1.1063	1.1063	2.0207
O2	1.4525		2.0484	2.1322	2.1322	0.9785
H3	1.0978	2.0484		1.7899	1.7899	2.8827
H4	1.1063	2.1322	1.7899		1.8025	2.4333
H5	1.1063	2.1322	1.7899	1.8025		2.4333
H6	2.0207	0.9785	2.8827	2.4333	2.4333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	110.944	O2	C1	H3	106.039
O2	C1	H4	112.168	O2	C1	H5	112.168
H3	C1	H4	108.603	H3	C1	H5	108.603
H4	C1	H5	109.108

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

using model chemistry: B1B95/CEP-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	-0.397
2	O	-0.448
3	H	0.197
4	H	0.160
5	H	0.160
6	H	0.329

	x	y	z	Total
	1.816	1.383	0.000	2.283
CHELPG
AIM
ESP

	x	y	z
x	2.217	-0.185	0.000
y	-0.185	2.359	0.000
z	0.000	0.000	1.738

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/CEP-31G

States and conformations

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