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	hartrees
Energy at 0K	-229.989541
Energy at 298.15K	-229.996517
Nuclear repulsion energy	129.812592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3735	3696	0.00
2	A_g	2901	2871	0.00
3	A_g	1474	1459	0.00
4	A_g	1441	1426	0.00
5	A_g	1260	1247	0.00
6	A_g	1071	1060	0.00
7	A_g	968	958	0.00
8	A_g	468	464	0.00
9	A_u	2954	2923	116.03
10	A_u	1177	1164	1.20
11	A_u	806	798	2.00
12	A_u	235	233	199.70
13	A_u	110	108	24.21
14	B_g	2924	2894	0.00
15	B_g	1255	1242	0.00
16	B_g	1126	1114	0.00
17	B_g	224	221	0.00
18	B_u	3735	3697	38.85
19	B_u	2907	2878	115.85
20	B_u	1485	1470	5.25
21	B_u	1375	1360	13.77
22	B_u	1168	1155	58.10
23	B_u	1057	1046	215.82
24	B_u	278	275	15.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.437	0.625	0.000
C2	-0.437	-0.625	0.000
O3	0.437	-1.747	0.000
O4	-0.437	1.747	0.000
H5	-0.119	-2.542	0.000
H6	0.119	2.542	0.000
H7	-1.094	-0.599	0.895
H8	-1.094	-0.599	-0.895
H9	1.094	0.599	0.895
H10	1.094	0.599	-0.895

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5249	2.3724	1.4224	3.2153	1.9433	2.1546	2.1546	1.1103	1.1103
C2	1.5249		1.4224	2.3724	1.9433	3.2153	1.1103	1.1103	2.1546	2.1546
O3	2.3724	1.4224		3.6024	0.9695	4.3013	2.1123	2.1123	2.5959	2.5959
O4	1.4224	2.3724	3.6024		4.3013	0.9695	2.5959	2.5959	2.1123	2.1123
H5	3.2153	1.9433	0.9695	4.3013		5.0896	2.3507	2.3507	3.4840	3.4840
H6	1.9433	3.2153	4.3013	0.9695	5.0896		3.4840	3.4840	2.3507	2.3507
H7	2.1546	1.1103	2.1123	2.5959	2.3507	3.4840		1.7890	2.4947	3.0699
H8	2.1546	1.1103	2.1123	2.5959	2.3507	3.4840	1.7890		3.0699	2.4947
H9	1.1103	2.1546	2.5959	2.1123	3.4840	2.3507	2.4947	3.0699		1.7890
H10	1.1103	2.1546	2.5959	2.1123	3.4840	2.3507	3.0699	2.4947	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.153	C1	C2	H7	108.671
C1	C2	H8	108.671	C1	O4	H6	107.152
C2	C1	O4	107.153	C2	C1	H9	108.671
C2	C1	H10	108.671	C2	O3	H5	107.152
O3	C2	H7	112.446	O3	C2	H8	112.446
O4	C1	H9	112.446	O4	C1	H10	112.446
H7	C2	H8	107.352	H9	C1	H10	107.352

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.101
2	C	-0.101
3	O	-0.395
4	O	-0.395
5	H	0.289
6	H	0.289
7	H	0.104
8	H	0.104
9	H	0.104
10	H	0.104

	x	y	z
x	4.642	0.083	0.000
y	0.083	5.705	0.000
z	0.000	0.000	4.162

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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