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	hartrees
Energy at 0K	-277.436464
Energy at 298.15K	-277.440140
HF Energy	-277.436464
Nuclear repulsion energy	73.085447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2870	2750	291.78
2	A₁	1480	1418	39.05
3	A₁	1216	1165	296.24
4	A₁	458	438	42.38
5	E	2877	2756	161.90
5	E	2876	2756	161.85
6	E	1488	1425	0.27
6	E	1487	1425	0.28
7	E	1182	1133	0.15
7	E	1182	1133	0.16
8	E	102	97	38.31
8	E	102	97	38.29

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.673
O2	0.000	0.000	-0.283
C3	0.000	0.000	-1.647
H4	0.000	1.018	-2.084
H5	0.881	-0.509	-2.084
H6	-0.881	-0.509	-2.084

	Na1	O2	C3	H4	H5	H6
Na1		1.9555	3.3194	3.8920	3.8920	3.8920
O2	1.9555		1.3639	2.0687	2.0687	2.0687
C3	3.3194	1.3639		1.1075	1.1075	1.1075
H4	3.8920	2.0687	1.1075		1.7625	1.7625
H5	3.8920	2.0687	1.1075	1.7625		1.7625
H6	3.8920	2.0687	1.1075	1.7625	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.251
O2	C3	H5	113.251	O2	C3	H6	113.251
H4	C3	H5	105.442	H4	C3	H6	105.442
H5	C3	H6	105.442

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

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	0.956
2	O	-1.053
3	C	-0.593
4	H	0.230
5	H	0.230
6	H	0.230

	x	y	z	Total
	0.000	0.000	7.901	7.901
CHELPG
AIM
ESP

	x	y	z
x	4.710	0.000	0.000
y	0.000	4.709	0.001
z	0.000	0.001	6.103

<r²>	73.240
(<r²>)^1/2	8.558

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

using model chemistry: mPW1PW91/aug-cc-pVTZ

States and conformations

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