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	hartrees
Energy at 0K	-115.455923
Energy at 298.15K	-115.460048
HF Energy	-115.060310
Nuclear repulsion energy	39.868954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3820	3676
2	A'	3127	3010
3	A'	3005	2892
4	A'	1491	1435
5	A'	1457	1402
6	A'	1372	1321
7	A'	1067	1027
8	A'	1037	998
9	A"	3070	2955
10	A"	1480	1425
11	A"	1159	1116
12	A"	310	298

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.672	0.000
O2	-0.047	-0.766	0.000
H3	-1.104	0.983	0.000
H4	0.444	1.085	0.903
H5	0.444	1.085	-0.903
H6	0.873	-1.062	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4378	1.1020	1.1073	1.1073	1.9627
O2	1.4378		2.0434	2.1165	2.1165	0.9662
H3	1.1020	2.0434		1.7950	1.7950	2.8442
H4	1.1073	2.1165	1.7950		1.8058	2.3677
H5	1.1073	2.1165	1.7950	1.8058		2.3677
H6	1.9627	0.9662	2.8442	2.3677	2.3677

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.844	O2	C1	H3	106.383
O2	C1	H4	111.871	O2	C1	H5	111.871
H3	C1	H4	108.669	H3	C1	H5	108.669
H4	C1	H5	109.249

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

using model chemistry: CCSD(T)/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(T)/aug-cc-pVDZ

States and conformations

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