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	hartrees
Energy at 0K	-277.205276
Energy at 298.15K	-277.208886
HF Energy	-277.205276
Nuclear repulsion energy	72.895610

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2870	2760	306.74
2	A₁	1450	1394	39.46
3	A₁	1228	1180	295.05
4	A₁	460	443	42.09
5	E	2889	2778	163.48
5	E	2889	2778	163.46
6	E	1456	1400	0.31
6	E	1456	1400	0.31
7	E	1165	1120	0.39
7	E	1165	1120	0.39
8	E	84	81	37.62
8	E	84	81	37.61

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.675
O2	0.000	0.000	-0.282
C3	0.000	0.000	-1.649
H4	0.000	1.025	-2.091
H5	0.887	-0.512	-2.091
H6	-0.887	-0.512	-2.091

	Na1	O2	C3	H4	H5	H6
Na1		1.9577	3.3245	3.9027	3.9027	3.9027
O2	1.9577		1.3668	2.0782	2.0782	2.0782
C3	3.3245	1.3668		1.1156	1.1156	1.1156
H4	3.9027	2.0782	1.1156		1.7745	1.7745
H5	3.9027	2.0782	1.1156	1.7745		1.7745
H6	3.9027	2.0782	1.1156	1.7745	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.305
O2	C3	H5	113.305	O2	C3	H6	113.305
H4	C3	H5	105.380	H4	C3	H6	105.380
H5	C3	H6	105.380

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

using model chemistry: PBE1PBE/aug-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	0.865
2	O	-0.928
3	C	0.901
4	H	-0.279
5	H	-0.279
6	H	-0.279

	x	y	z	Total
	0.000	0.000	7.958	7.958
CHELPG
AIM
ESP

	x	y	z
x	4.694	0.000	0.000
y	0.000	4.694	-0.000
z	0.000	-0.000	6.226

<r²>	73.590
(<r²>)^1/2	8.578

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

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