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	hartrees
Energy at 0K	-277.168431
Energy at 298.15K	-277.172056
HF Energy	-277.168431
Nuclear repulsion energy	72.874631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2783	2754	337.89
2	A₁	1449	1434	99.28
3	A₁	1178	1166	289.83
4	A₁	477	472	25.41
5	E	2796	2767	108.16
5	E	2796	2767	108.14
6	E	1439	1424	4.01
6	E	1439	1424	4.01
7	E	1147	1135	10.09
7	E	1147	1135	10.09
8	E	89	88	23.68
8	E	89	88	23.68

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.671
O2	0.000	0.000	-0.274
C3	0.000	0.000	-1.649
H4	0.000	1.028	-2.096
H5	0.890	-0.514	-2.096
H6	-0.890	-0.514	-2.096

	Na1	O2	C3	H4	H5	H6
Na1		1.9449	3.3201	3.9039	3.9039	3.9039
O2	1.9449		1.3753	2.0912	2.0912	2.0912
C3	3.3201	1.3753		1.1202	1.1202	1.1202
H4	3.9039	2.0912	1.1202		1.7797	1.7797
H5	3.9039	2.0912	1.1202	1.7797		1.7797
H6	3.9039	2.0912	1.1202	1.7797	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.467
O2	C3	H5	113.467	O2	C3	H6	113.467
H4	C3	H5	105.196	H4	C3	H6	105.196
H5	C3	H6	105.196

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

using model chemistry: PBEPBE/6-31G(2df,p)

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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Number	Element	Mulliken
1	Na	0.452
2	O	-0.369
3	C	-0.273
4	H	0.063
5	H	0.063
6	H	0.063

	x	y	z	Total
	0.000	0.000	7.099	7.099
CHELPG
AIM
ESP

	x	y	z
x	5.127	0.000	0.000
y	0.000	5.128	-0.000
z	0.000	-0.000	6.566

<r²>	73.416
(<r²>)^1/2	8.568

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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