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	hartrees
Energy at 0K	-277.493988
Energy at 298.15K	-277.497641
HF Energy	-277.493988
Nuclear repulsion energy	72.866687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2854	2761	295.28
2	A₁	1477	1429	40.73
3	A₁	1173	1135	298.03
4	A₁	457	442	38.26
5	E	2852	2760	158.06
5	E	2852	2760	158.19
6	E	1487	1438	0.48
6	E	1486	1438	0.49
7	E	1175	1136	0.53
7	E	1175	1136	0.56
8	E	97	94	36.77
8	E	97	93	36.77

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.676
O2	0.000	0.000	-0.280
C3	0.000	0.000	-1.655
H4	0.000	1.019	-2.088
H5	0.883	-0.510	-2.088
H6	-0.883	-0.510	-2.088

	Na1	O2	C3	H4	H5	H6
Na1		1.9566	3.3313	3.8992	3.8992	3.8992
O2	1.9566		1.3747	2.0746	2.0746	2.0746
C3	3.3313	1.3747		1.1070	1.1070	1.1070
H4	3.8992	2.0746	1.1070		1.7650	1.7650
H5	3.8992	2.0746	1.1070	1.7650		1.7650
H6	3.8992	2.0746	1.1070	1.7650	1.7650

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	112.994
O2	C3	H5	112.994	O2	C3	H6	112.994
H4	C3	H5	105.730	H4	C3	H6	105.730
H5	C3	H6	105.730

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

using model chemistry: B3LYP/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	0.897
2	O	-0.999
3	C	-0.570
4	H	0.224
5	H	0.224
6	H	0.224

	x	y	z	Total
	0.000	0.000	7.758	7.758
CHELPG
AIM
ESP

	x	y	z
x	4.999	0.000	0.000
y	0.000	4.999	-0.000
z	0.000	-0.000	6.519

<r²>	73.717
(<r²>)^1/2	8.586

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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