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	hartrees
Energy at 0K	-115.470505
Energy at 298.15K	-115.474673
HF Energy	-115.053990
Nuclear repulsion energy	40.439622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3936	3728	27.02
2	A'	3186	3017	24.51
3	A'	3062	2900	42.62
4	A'	1553	1471	3.04
5	A'	1525	1444	4.00
6	A'	1424	1349	30.80
7	A'	1126	1067	18.11
8	A'	1092	1035	88.64
9	A"	3122	2957	54.24
10	A"	1538	1457	1.82
11	A"	1206	1142	1.07
12	A"	326	309	111.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.047	0.658	0.000
O2	-0.047	-0.755	0.000
H3	-1.089	0.976	0.000
H4	0.438	1.076	0.890
H5	0.438	1.076	-0.890
H6	0.865	-1.042	0.000

	C1	O2	H3	H4	H5	H6
C1		1.4127	1.0901	1.0958	1.0958	1.9293
O2	1.4127		2.0206	2.0924	2.0924	0.9560
H3	1.0901	2.0206		1.7701	1.7701	2.8096
H4	1.0958	2.0924	1.7701		1.7791	2.3370
H5	1.0958	2.0924	1.7701	1.7791		2.3370
H6	1.9293	0.9560	2.8096	2.3370	2.3370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H6	107.507	O2	C1	H3	106.966
O2	C1	H4	112.431	O2	C1	H5	112.431
H3	C1	H4	108.149	H3	C1	H5	108.149
H4	C1	H5	108.540

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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