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	hartrees
Energy at 0K	-230.241428
Energy at 298.15K	-230.248391
Nuclear repulsion energy	128.983863

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3702	3688	0.00
2	A_g	2897	2886	0.00
3	A_g	1486	1481	0.00
4	A_g	1443	1437	0.00
5	A_g	1263	1259	0.00
6	A_g	1014	1010	0.00
7	A_g	955	952	0.00
8	A_g	462	460	0.00
9	A_u	2946	2935	128.36
10	A_u	1182	1178	0.55
11	A_u	829	825	2.12
12	A_u	225	224	221.55
13	A_u	119	119	26.78
14	B_g	2916	2905	0.00
15	B_g	1269	1264	0.00
16	B_g	1124	1120	0.00
17	B_g	211	210	0.00
18	B_u	3703	3689	36.34
19	B_u	2903	2892	126.92
20	B_u	1496	1491	4.04
21	B_u	1379	1374	3.29
22	B_u	1173	1168	94.90
23	B_u	999	995	197.74
24	B_u	286	284	19.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.442	0.623	0.000
C2	-0.442	-0.623	0.000
O3	0.442	-1.763	0.000
O4	-0.442	1.763	0.000
H5	-0.113	-2.559	0.000
H6	0.113	2.559	0.000
H7	-1.090	-0.604	0.896
H8	-1.090	-0.604	-0.896
H9	1.090	0.604	0.896
H10	1.090	0.604	-0.896

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5285	2.3863	1.4420	3.2310	1.9637	2.1574	2.1574	1.1055	1.1055
C2	1.5285		1.4420	2.3863	1.9637	3.2310	1.1055	1.1055	2.1574	2.1574
O3	2.3863	1.4420		3.6347	0.9709	4.3348	2.1195	2.1195	2.6119	2.6119
O4	1.4420	2.3863	3.6347		4.3348	0.9709	2.6119	2.6119	2.1195	2.1195
H5	3.2310	1.9637	0.9709	4.3348		5.1239	2.3625	2.3625	3.5006	3.5006
H6	1.9637	3.2310	4.3348	0.9709	5.1239		3.5006	3.5006	2.3625	2.3625
H7	2.1574	1.1055	2.1195	2.6119	2.3625	3.5006		1.7911	2.4917	3.0687
H8	2.1574	1.1055	2.1195	2.6119	2.3625	3.5006	1.7911		3.0687	2.4917
H9	1.1055	2.1574	2.6119	2.1195	3.5006	2.3625	2.4917	3.0687		1.7911
H10	1.1055	2.1574	2.6119	2.1195	3.5006	2.3625	3.0687	2.4917	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.861	C1	C2	H7	108.920
C1	C2	H8	108.920	C1	O4	H6	107.330
C2	C1	O4	106.861	C2	C1	H9	108.920
C2	C1	H10	108.920	C2	O3	H5	107.330
O3	C2	H7	111.927	O3	C2	H8	111.927
O4	C1	H9	111.927	O4	C1	H10	111.927
H7	C2	H8	108.209	H9	C1	H10	108.209

All results from a given calculation for C₂H₆O₂ (1,2-Ethanediol)

using model chemistry: BLYP/6-311G**

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	C	-0.033
2	C	-0.033
3	O	-0.387
4	O	-0.387
5	H	0.236
6	H	0.236
7	H	0.092
8	H	0.092
9	H	0.092
10	H	0.092

	x	y	z
x	4.802	0.145	0.000
y	0.145	5.819	0.000
z	0.000	0.000	4.173

<r²>	97.205
(<r²>)^1/2	9.859

All results from a given calculation for C2H6O2 (1,2-Ethanediol)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for C₂H₆O₂ (1,2-Ethanediol)