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	hartrees
Energy at 0K	-277.424791
Energy at 298.15K	-277.428487
HF Energy	-277.424791
Nuclear repulsion energy	73.090238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2863	2731	326.22
2	A₁	1493	1425	73.88
3	A₁	1223	1167	295.92
4	A₁	462	440	37.43
5	E	2869	2737	194.53
5	E	2869	2737	194.61
6	E	1490	1421	2.47
6	E	1490	1421	2.47
7	E	1184	1130	0.95
7	E	1184	1130	0.95
8	E	107	102	42.35
8	E	107	102	42.36

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.673
O2	0.000	0.000	-0.284
C3	0.000	0.000	-1.645
H4	0.000	1.018	-2.086
H5	0.882	-0.509	-2.086
H6	-0.882	-0.509	-2.086

	Na1	O2	C3	H4	H5	H6
Na1		1.9562	3.3177	3.8945	3.8945	3.8945
O2	1.9562		1.3615	2.0704	2.0704	2.0704
C3	3.3177	1.3615		1.1096	1.1096	1.1096
H4	3.8945	2.0704	1.1096		1.7634	1.7634
H5	3.8945	2.0704	1.1096	1.7634		1.7634
H6	3.8945	2.0704	1.1096	1.7634	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.436
O2	C3	H5	113.436	O2	C3	H6	113.436
H4	C3	H5	105.232	H4	C3	H6	105.232
H5	C3	H6	105.232

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

using model chemistry: mPW1PW91/TZVP

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	0.853
2	O	-0.884
3	C	-0.091
4	H	0.040
5	H	0.040
6	H	0.040

	x	y	z	Total
	0.000	0.000	7.767	7.767
CHELPG
AIM
ESP

	x	y	z
x	3.723	0.000	0.000
y	0.000	3.723	0.001
z	0.000	0.001	5.896

<r²>	73.157
(<r²>)^1/2	8.553

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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