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	hartrees
Energy at 0K	-228.830861
Energy at 298.15K	-228.837910
HF Energy	-228.830861
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3418	3359	0.00
2	A_g	2944	2894	0.00
3	A_g	1560	1533	0.00
4	A_g	1466	1441	0.00
5	A_g	1291	1269	0.00
6	A_g	992	975	0.00
7	A_g	958	941	0.00
8	A_g	453	445	0.00
9	A_u	2999	2949	156.87
10	A_u	1186	1165	0.07
11	A_u	872	857	2.14
12	A_u	250	246	289.06
13	A_u	130	128	11.88
14	B_g	2965	2915	0.00
15	B_g	1321	1299	0.00
16	B_g	1128	1109	0.00
17	B_g	246	242	0.00
18	B_u	3419	3361	1.69
19	B_u	2951	2900	108.73
20	B_u	1572	1546	6.56
21	B_u	1415	1391	2.48
22	B_u	1200	1179	87.98
23	B_u	980	964	157.13
24	B_u	270	265	25.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.456	0.614	0.000
C2	-0.456	-0.614	0.000
O3	0.456	-1.765	0.000
O4	-0.456	1.765	0.000
H5	-0.116	-2.583	0.000
H6	0.116	2.583	0.000
H7	-1.101	-0.568	0.895
H8	-1.101	-0.568	-0.895
H9	1.101	0.568	0.895
H10	1.101	0.568	-0.895

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5293	2.3785	1.4679	3.2480	1.9984	2.1499	2.1499	1.1045	1.1045
C2	1.5293		1.4679	2.3785	1.9984	3.2480	1.1045	1.1045	2.1499	2.1499
O3	2.3785	1.4679		3.6449	0.9987	4.3611	2.1581	2.1581	2.5803	2.5803
O4	1.4679	2.3785	3.6449		4.3611	0.9987	2.5803	2.5803	2.1581	2.1581
H5	3.2480	1.9984	0.9987	4.3611		5.1718	2.4153	2.4153	3.4946	3.4946
H6	1.9984	3.2480	4.3611	0.9987	5.1718		3.4946	3.4946	2.4153	2.4153
H7	2.1499	1.1045	2.1581	2.5803	2.4153	3.4946		1.7902	2.4779	3.0570
H8	2.1499	1.1045	2.1581	2.5803	2.4153	3.4946	1.7902		3.0570	2.4779
H9	1.1045	2.1499	2.5803	2.1581	3.4946	2.4153	2.4779	3.0570		1.7902
H10	1.1045	2.1499	2.5803	2.1581	3.4946	2.4153	3.0570	2.4779	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.787	C1	C2	H7	107.710
C1	C2	H8	107.710	C1	O4	H6	108.466
C2	C1	O4	105.787	C2	C1	H9	107.710
C2	C1	H10	107.710	C2	O3	H5	108.466
O3	C2	H7	113.877	O3	C2	H8	113.877
O4	C1	H9	113.877	O4	C1	H10	113.877
H7	C2	H8	107.551	H9	C1	H10	107.551

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

using model chemistry: B97D3/3-21G

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	-0.176
2	C	-0.176
3	O	-0.546
4	O	-0.546
5	H	0.340
6	H	0.340
7	H	0.191
8	H	0.191
9	H	0.191
10	H	0.191

	x	y	z
x	4.015	0.067	0.000
y	0.067	5.267	0.000
z	0.000	0.000	3.305

<r²>	97.191
(<r²>)^1/2	9.859

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

using model chemistry: B97D3/3-21G

States and conformations

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