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	hartrees
Energy at 0K	-277.377834
Energy at 298.15K	-277.381578
HF Energy	-277.377834
Nuclear repulsion energy	72.792780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2876	2739	301.86
2	A₁	1500	1429	52.87
3	A₁	1231	1172	291.34
4	A₁	468	446	39.96
5	E	2895	2757	189.46
5	E	2895	2757	189.12
6	E	1505	1433	0.62
6	E	1505	1433	0.63
7	E	1196	1139	0.01
7	E	1196	1139	0.00
8	E	119	114	51.50
8	E	119	114	51.59

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.669
O2	0.000	0.000	-0.278
C3	0.000	0.000	-1.647
H4	0.000	1.021	-2.085
H5	0.885	-0.511	-2.085
H6	-0.885	-0.511	-2.085

	Na1	O2	C3	H4	H5	H6
Na1		1.9467	3.3155	3.8901	3.8901	3.8901
O2	1.9467		1.3688	2.0756	2.0756	2.0756
C3	3.3155	1.3688		1.1114	1.1114	1.1114
H4	3.8901	2.0756	1.1114		1.7690	1.7690
H5	3.8901	2.0756	1.1114	1.7690		1.7690
H6	3.8901	2.0756	1.1114	1.7690	1.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.217
O2	C3	H5	113.217	O2	C3	H6	113.217
H4	C3	H5	105.479	H4	C3	H6	105.479
H5	C3	H6	105.479

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

using model chemistry: wB97X-D/6-31+G**

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	0.881
2	O	-0.890
3	C	-0.229
4	H	0.080
5	H	0.080
6	H	0.080

	x	y	z	Total
	0.000	0.000	7.786	7.786
CHELPG
AIM
ESP

<r²>	73.578
(<r²>)^1/2	8.578

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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