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	hartrees
Energy at 0K	-277.217485
Energy at 298.15K	-277.221249
HF Energy	-277.217485
Nuclear repulsion energy	73.226586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2859	2750	342.45
2	A₁	1474	1417	108.21
3	A₁	1241	1194	298.17
4	A₁	487	469	31.34
5	E	2877	2767	173.43
5	E	2877	2767	173.40
6	E	1461	1405	2.97
6	E	1461	1405	2.97
7	E	1173	1128	1.65
7	E	1173	1128	1.65
8	E	121	117	32.35
8	E	121	117	32.34

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.663
O2	0.000	0.000	-0.274
C3	0.000	0.000	-1.638
H4	0.000	1.025	-2.089
H5	0.888	-0.513	-2.089
H6	-0.888	-0.513	-2.089

	Na1	O2	C3	H4	H5	H6
Na1		1.9371	3.3012	3.8889	3.8889	3.8889
O2	1.9371		1.3641	2.0838	2.0838	2.0838
C3	3.3012	1.3641		1.1196	1.1196	1.1196
H4	3.8889	2.0838	1.1196		1.7755	1.7755
H5	3.8889	2.0838	1.1196	1.7755		1.7755
H6	3.8889	2.0838	1.1196	1.7755	1.7755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.706
O2	C3	H5	113.706	O2	C3	H6	113.706
H4	C3	H5	104.924	H4	C3	H6	104.924
H5	C3	H6	104.924

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	Na	0.551
2	O	-0.580
3	C	0.107
4	H	-0.026
5	H	-0.026
6	H	-0.026

	x	y	z	Total
	0.000	0.000	7.474	7.474
CHELPG
AIM
ESP

<r²>	72.661
(<r²>)^1/2	8.524

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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