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	hartrees
Energy at 0K	-277.221976
Energy at 298.15K	-277.225488
HF Energy	-277.221976
Nuclear repulsion energy	72.512249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2772	2741	354.72
2	A₁	1421	1405	50.01
3	A₁	1156	1143	312.93
4	A₁	447	442	35.79
5	E	2774	2743	153.18
5	E	2774	2743	153.19
6	E	1428	1412	1.35
6	E	1428	1412	1.35
7	E	1128	1115	4.65
7	E	1128	1115	4.65
8	E	66	65	26.73
8	E	65	65	26.73

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.684
O2	0.000	0.000	-0.283
C3	0.000	0.000	-1.660
H4	0.000	1.027	-2.101
H5	0.889	-0.513	-2.101
H6	-0.889	-0.513	-2.101

	Na1	O2	C3	H4	H5	H6
Na1		1.9669	3.3443	3.9218	3.9218	3.9218
O2	1.9669		1.3774	2.0880	2.0880	2.0880
C3	3.3443	1.3774		1.1174	1.1174	1.1174
H4	3.9218	2.0880	1.1174		1.7785	1.7785
H5	3.9218	2.0880	1.1174	1.7785		1.7785
H6	3.9218	2.0880	1.1174	1.7785	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.231
O2	C3	H5	113.231	O2	C3	H6	113.231
H4	C3	H5	105.464	H4	C3	H6	105.464
H5	C3	H6	105.464

All results from a given calculation for NaOCH₃ (Sodium methoxide)

using model chemistry: PBEPBEultrafine/aug-cc-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	Na	0.894
2	O	-0.958
3	C	-0.552
4	H	0.206
5	H	0.206
6	H	0.206

	x	y	z	Total
	0.000	0.000	7.791	7.791
CHELPG
AIM
ESP

<r²>	74.557
(<r²>)^1/2	8.635

All results from a given calculation for NaOCH3 (Sodium methoxide)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for NaOCH₃ (Sodium methoxide)