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	hartrees
Energy at 0K	-277.193379
Energy at 298.15K	-277.197014
HF Energy	-277.193379
Nuclear repulsion energy	73.494348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2871	2730	379.42
2	A₁	1535	1460	153.87
3	A₁	1255	1193	310.35
4	A₁	488	464	32.11
5	E	2879	2738	175.81
5	E	2879	2738	175.78
6	E	1523	1449	4.91
6	E	1523	1449	4.91
7	E	1203	1144	3.90
7	E	1203	1144	3.90
8	E	84	80	27.45
8	E	84	80	27.45

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.657
O2	0.000	0.000	-0.273
C3	0.000	0.000	-1.633
H4	0.000	1.020	-2.081
H5	0.883	-0.510	-2.081
H6	-0.883	-0.510	-2.081

	Na1	O2	C3	H4	H5	H6
Na1		1.9296	3.2900	3.8744	3.8744	3.8744
O2	1.9296		1.3604	2.0760	2.0760	2.0760
C3	3.2900	1.3604		1.1139	1.1139	1.1139
H4	3.8744	2.0760	1.1139		1.7667	1.7667
H5	3.8744	2.0760	1.1139	1.7667		1.7667
H6	3.8744	2.0760	1.1139	1.7667	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.696
O2	C3	H5	113.696	O2	C3	H6	113.696
H4	C3	H5	104.935	H4	C3	H6	104.935
H5	C3	H6	104.935

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

using model chemistry: HSEh1PBE/6-31G*

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	0.625
2	O	-0.695
3	C	-0.192
4	H	0.087
5	H	0.087
6	H	0.087

	x	y	z	Total
	0.000	0.000	7.126	7.126
CHELPG
AIM
ESP

<r²>	72.192
(<r²>)^1/2	8.497

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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