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	hartrees
Energy at 0K	-115.078521
Energy at 298.15K	-115.082722
HF Energy	-115.078521
Nuclear repulsion energy	40.737172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4182	3819	56.93
2	A'	3266	2982	36.39
3	A'	3150	2876	65.41
4	A'	1613	1473	4.71
5	A'	1595	1457	6.37
6	A'	1480	1351	42.23
7	A'	1177	1075	99.10
8	A'	1147	1047	42.82
9	A"	3208	2929	66.65
10	A"	1605	1465	2.94
11	A"	1267	1156	2.60
12	A"	327	299	120.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.046	0.654	0.000
O2	-0.046	-0.745	0.000
H3	-1.084	0.978	0.000
H4	0.442	1.064	0.889
H5	0.442	1.064	-0.889
H6	0.842	-1.065	0.000

	C1	O2	H3	H4	H5	H6
C1		1.3989	1.0880	1.0934	1.0934	1.9343
O2	1.3989		2.0118	2.0736	2.0736	0.9433
H3	1.0880	2.0118		1.7680	1.7680	2.8076
H4	1.0934	2.0736	1.7680		1.7776	2.3413
H5	1.0934	2.0736	1.7680	1.7776		2.3413
H6	1.9343	0.9433	2.8076	2.3413	2.3413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	109.818	O2	C1	H3	107.328
O2	C1	H4	112.027	O2	C1	H5	112.027
H3	C1	H4	108.283	H3	C1	H5	108.283
H4	C1	H5	108.755

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

using model chemistry: HF/Sadlej_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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Number	Element	Mulliken
1	C	2.467
2	O	-0.358
3	H	-0.639
4	H	-0.580
5	H	-0.580
6	H	-0.311

	x	y	z	Total
	1.430	0.969	0.000	1.727
CHELPG
AIM
ESP

	x	y	z
x	2.813	-0.092	0.000
y	-0.092	3.105	0.000
z	0.000	0.000	2.707

<r²>	23.332
(<r²>)^1/2	4.830

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

using model chemistry: HF/Sadlej_pVTZ

States and conformations

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