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	hartrees
Energy at 0K	-277.239901
Energy at 298.15K	-277.243579
HF Energy	-277.239901
Nuclear repulsion energy	73.095716

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2864	2753	294.50
2	A₁	1472	1416	39.34
3	A₁	1220	1173	298.00
4	A₁	460	442	41.98
5	E	2872	2761	160.40
5	E	2872	2761	160.35
6	E	1480	1423	0.26
6	E	1480	1423	0.27
7	E	1177	1132	0.22
7	E	1177	1132	0.22
8	E	102	98	37.69
8	E	102	98	37.68

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	1.672
O2	0.000	0.000	-0.282
C3	0.000	0.000	-1.646
H4	0.000	1.019	-2.084
H5	0.882	-0.509	-2.084
H6	-0.882	-0.509	-2.084

	Na1	O2	C3	H4	H5	H6
Na1		1.9541	3.3177	3.8917	3.8917	3.8917
O2	1.9541		1.3636	2.0700	2.0700	2.0700
C3	3.3177	1.3636		1.1091	1.1091	1.1091
H4	3.8917	2.0700	1.1091		1.7646	1.7646
H5	3.8917	2.0700	1.1091	1.7646		1.7646
H6	3.8917	2.0700	1.1091	1.7646	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Na1	O2	C3	180.000	O2	C3	H4	113.277
O2	C3	H5	113.277	O2	C3	H6	113.277
H4	C3	H5	105.412	H4	C3	H6	105.412
H5	C3	H6	105.412

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

using model chemistry: PBE1PBE/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	0.942
2	O	-1.026
3	C	-0.624
4	H	0.236
5	H	0.236
6	H	0.236

	x	y	z	Total
	0.000	0.000	7.891	7.891
CHELPG
AIM
ESP

	x	y	z
x	4.778	0.000	0.000
y	0.000	4.778	-0.000
z	0.000	-0.000	6.190

<r²>	73.245
(<r²>)^1/2	8.558

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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