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	hartrees
Energy at 0K	-115.471037
Energy at 298.15K	-115.475206
HF Energy	-115.086604
Nuclear repulsion energy	40.319789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3892	3715	21.10
2	A'	3167	3023	31.23
3	A'	3043	2904	54.58
4	A'	1540	1470	6.96
5	A'	1526	1456	6.20
6	A'	1405	1341	22.55
7	A'	1105	1055	0.09
8	A'	1081	1032	114.49
9	A"	3098	2957	64.86
10	A"	1516	1447	1.30
11	A"	1206	1151	1.51
12	A"	329	314	129.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.663	0.000
O2	-0.047	-0.757	0.000
H3	-1.088	0.980	0.000
H4	0.440	1.073	0.890
H5	0.440	1.073	-0.890
H6	0.868	-1.046	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4204	1.0884	1.0947	1.0947	1.9387
O2	1.4204		2.0255	2.0932	2.0932	0.9597
H3	1.0884	2.0255		1.7712	1.7712	2.8165
H4	1.0947	2.0932	1.7712		1.7806	2.3383
H5	1.0947	2.0932	1.7712	1.7806		2.3383
H6	1.9387	0.9597	2.8165	2.3383	2.3383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.501	O2	C1	H3	106.929
O2	C1	H4	112.015	O2	C1	H5	112.015
H3	C1	H4	108.454	H3	C1	H5	108.454
H4	C1	H5	108.842

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

using model chemistry: CCSD/TZVP

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/TZVP

States and conformations

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