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	hartrees
Energy at 0K	-277.260086
Energy at 298.15K	-277.263774
HF Energy	-277.260086
Nuclear repulsion energy	73.061102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2863	2751	296.97
2	A₁	1479	1422	56.41
3	A₁	1217	1170	292.11
4	A₁	461	443	38.17
5	E	2870	2759	162.87
5	E	2870	2759	162.90
6	E	1483	1425	1.31
6	E	1483	1425	1.31
7	E	1180	1134	0.96
7	E	1180	1134	0.96
8	E	105	101	36.33
8	E	105	101	36.32

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	-2.086
H5	0.882	-0.509	-2.086
H6	-0.882	-0.509	-2.086

	Na1	O2	C3	H4	H5	H6
Na1		1.9563	3.3198	3.8949	3.8949	3.8949
O2	1.9563		1.3634	2.0707	2.0707	2.0707
C3	3.3198	1.3634		1.1089	1.1089	1.1089
H4	3.8949	2.0707	1.1089		1.7631	1.7631
H5	3.8949	2.0707	1.1089	1.7631		1.7631
H6	3.8949	2.0707	1.1089	1.7631	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.366
O2	C3	H5	113.366	O2	C3	H6	113.366
H4	C3	H5	105.311	H4	C3	H6	105.311
H5	C3	H6	105.311

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

using model chemistry: HSEh1PBE/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	0.603
2	O	-0.600
3	C	-0.079
4	H	0.026
5	H	0.026
6	H	0.026

	x	y	z	Total
	0.000	0.000	7.739	7.739
CHELPG
AIM
ESP

	x	y	z
x	4.459	0.000	0.000
y	0.000	4.459	-0.000
z	0.000	-0.000	5.703

<r²>	73.223
(<r²>)^1/2	8.557

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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