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	hartrees
Energy at 0K	-277.173149
Energy at 298.15K	-277.176802
HF Energy	-277.173149
Nuclear repulsion energy	72.648258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2762	2746	434.46
2	A₁	1423	1415	142.69
3	A₁	1185	1178	316.44
4	A₁	474	471	22.89
5	E	2774	2758	145.95
5	E	2774	2758	145.93
6	E	1406	1398	6.19
6	E	1406	1398	6.19
7	E	1123	1117	13.92
7	E	1123	1117	13.92
8	E	99	98	18.74
8	E	99	98	18.74

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.675
O2	0.000	0.000	-0.275
C3	0.000	0.000	-1.651
H4	0.000	1.033	-2.106
H5	0.895	-0.517	-2.106
H6	-0.895	-0.517	-2.106

	Na1	O2	C3	H4	H5	H6
Na1		1.9504	3.3267	3.9202	3.9202	3.9202
O2	1.9504		1.3763	2.1026	2.1026	2.1026
C3	3.3267	1.3763		1.1291	1.1291	1.1291
H4	3.9202	2.1026	1.1291		1.7899	1.7899
H5	3.9202	2.1026	1.1291	1.7899		1.7900
H6	3.9202	2.1026	1.1291	1.7899	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.755
O2	C3	H5	113.755	O2	C3	H6	113.755
H4	C3	H5	104.868	H4	C3	H6	104.868
H5	C3	H6	104.868

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

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	0.491
2	O	-0.502
3	C	0.096
4	H	-0.028
5	H	-0.028
6	H	-0.028

	x	y	z	Total
	0.000	0.000	7.279	7.279
CHELPG
AIM
ESP

	x	y	z
x	5.387	0.000	0.000
y	0.000	5.387	-0.000
z	0.000	-0.000	7.053

<r²>	73.938
(<r²>)^1/2	8.599

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

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

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