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	hartrees
Energy at 0K	-230.269195
Energy at 298.15K	-230.276307
HF Energy	-230.269195
Nuclear repulsion energy	130.846585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3933	3760	0.00
2	A_g	3013	2881	0.00
3	A_g	1524	1457	0.00
4	A_g	1505	1438	0.00
5	A_g	1304	1246	0.00
6	A_g	1117	1068	0.00
7	A_g	1003	959	0.00
8	A_g	487	466	0.00
9	A_u	3070	2935	95.13
10	A_u	1249	1194	1.58
11	A_u	834	797	1.96
12	A_u	234	224	221.69
13	A_u	127	122	31.17
14	B_g	3043	2909	0.00
15	B_g	1324	1266	0.00
16	B_g	1168	1117	0.00
17	B_g	219	210	0.00
18	B_u	3933	3760	77.64
19	B_u	3018	2885	108.31
20	B_u	1532	1464	5.44
21	B_u	1428	1365	8.61
22	B_u	1208	1155	87.97
23	B_u	1103	1055	227.43
24	B_u	296	283	19.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.434	0.620	0.000
C2	-0.434	-0.620	0.000
O3	0.434	-1.741	0.000
O4	-0.434	1.741	0.000
H5	-0.100	-2.535	0.000
H6	0.100	2.535	0.000
H7	-1.075	-0.611	0.887
H8	-1.075	-0.611	-0.887
H9	1.075	0.611	0.887
H10	1.075	0.611	-0.887

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5128	2.3612	1.4176	3.1996	1.9439	2.1390	2.1390	1.0944	1.0944
C2	1.5128		1.4176	2.3612	1.9439	3.1996	1.0944	1.0944	2.1390	2.1390
O3	2.3612	1.4176		3.5891	0.9564	4.2893	2.0834	2.0834	2.5940	2.5940
O4	1.4176	2.3612	3.5891		4.2893	0.9564	2.5940	2.5940	2.0834	2.0834
H5	3.1996	1.9439	0.9564	4.2893		5.0739	2.3323	2.3323	3.4729	3.4729
H6	1.9439	3.1996	4.2893	0.9564	5.0739		3.4729	3.4729	2.3323	2.3323
H7	2.1390	1.0944	2.0834	2.5940	2.3323	3.4729		1.7733	2.4725	3.0426
H8	2.1390	1.0944	2.0834	2.5940	2.3323	3.4729	1.7733		3.0426	2.4725
H9	1.0944	2.1390	2.5940	2.0834	3.4729	2.3323	2.4725	3.0426		1.7733
H10	1.0944	2.1390	2.5940	2.0834	3.4729	2.3323	3.0426	2.4725	1.7733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.323	C1	C2	H7	109.205
C1	C2	H8	109.205	C1	O4	H6	108.365
C2	C1	O4	107.323	C2	C1	H9	109.205
C2	C1	H10	109.205	C2	O3	H5	108.365
O3	C2	H7	111.421	O3	C2	H8	111.421
O4	C1	H9	111.421	O4	C1	H10	111.421
H7	C2	H8	108.228	H9	C1	H10	108.228

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

using model chemistry: wB97X-D/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	C	0.034
2	C	0.034
3	O	-0.334
4	O	-0.334
5	H	0.191
6	H	0.191
7	H	0.054
8	H	0.054
9	H	0.054
10	H	0.054

	x	y	z
x	4.900	0.074	0.000
y	0.074	5.756	0.000
z	0.000	0.000	4.337

<r²>	94.824
(<r²>)^1/2	9.738

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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