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	hartrees
Energy at 0K	-277.370192
Energy at 298.15K	-277.373828
HF Energy	-277.370192
Nuclear repulsion energy	73.462084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2870	2731	375.61
2	A₁	1524	1450	142.81
3	A₁	1251	1191	309.94
4	A₁	485	461	33.55
5	E	2881	2741	176.79
5	E	2881	2741	176.79
6	E	1508	1435	4.98
6	E	1508	1435	4.97
7	E	1200	1142	3.10
7	E	1200	1142	3.10
8	E	85	80	28.68
8	E	85	80	28.68

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.658
O2	0.000	0.000	-0.273
C3	0.000	0.000	-1.634
H4	0.000	1.017	-2.083
H5	0.881	-0.509	-2.083
H6	-0.881	-0.509	-2.083

	Na1	O2	C3	H4	H5	H6
Na1		1.9317	3.2928	3.8775	3.8775	3.8775
O2	1.9317		1.3611	2.0764	2.0764	2.0764
C3	3.2928	1.3611		1.1121	1.1121	1.1121
H4	3.8775	2.0764	1.1121		1.7623	1.7623
H5	3.8775	2.0764	1.1121	1.7623		1.7623
H6	3.8775	2.0764	1.1121	1.7623	1.7623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.805
O2	C3	H5	113.805	O2	C3	H6	113.805
H4	C3	H5	104.811	H4	C3	H6	104.811
H5	C3	H6	104.811

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

using model chemistry: mPW1PW91/6-31G**

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	0.638
2	O	-0.722
3	C	-0.055
4	H	0.046
5	H	0.046
6	H	0.046

	x	y	z	Total
	0.000	0.000	7.187	7.187
CHELPG
AIM
ESP

<r²>	72.249
(<r²>)^1/2	8.500

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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