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	hartrees
Energy at 0K	-230.213649
Energy at 298.15K	-230.220655
Nuclear repulsion energy	128.486279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3690	3683	0.00
2	A_g	2927	2921	0.00
3	A_g	1457	1454	0.00
4	A_g	1411	1408	0.00
5	A_g	1249	1247	0.00
6	A_g	1004	1002	0.00
7	A_g	954	952	0.00
8	A_g	458	457	0.00
9	A_u	2983	2977	83.13
10	A_u	1169	1167	0.45
11	A_u	807	806	0.84
12	A_u	254	254	195.70
13	A_u	100	99	30.34
14	B_g	2957	2951	0.00
15	B_g	1253	1250	0.00
16	B_g	1110	1108	0.00
17	B_g	247	247	0.00
18	B_u	3691	3684	51.49
19	B_u	2932	2926	108.77
20	B_u	1465	1462	4.37
21	B_u	1345	1342	11.32
22	B_u	1159	1157	72.69
23	B_u	985	983	202.12
24	B_u	289	289	18.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.445	0.623	0.000
C2	-0.445	-0.623	0.000
O3	0.445	-1.768	0.000
O4	-0.445	1.768	0.000
H5	-0.099	-2.576	0.000
H6	0.099	2.576	0.000
H7	-1.091	-0.618	0.901
H8	-1.091	-0.618	-0.901
H9	1.091	0.618	0.901
H10	1.091	0.618	-0.901

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5306	2.3911	1.4499	3.2446	1.9832	2.1707	2.1707	1.1094	1.1094
C2	1.5306		1.4499	2.3911	1.9832	3.2446	1.1094	1.1094	2.1707	2.1707
O3	2.3911	1.4499		3.6464	0.9735	4.3577	2.1198	2.1198	2.6317	2.6317
O4	1.4499	2.3911	3.6464		4.3577	0.9735	2.6317	2.6317	2.1198	2.1198
H5	3.2446	1.9832	0.9735	4.3577		5.1554	2.3725	2.3725	3.5258	3.5258
H6	1.9832	3.2446	4.3577	0.9735	5.1554		3.5258	3.5258	2.3725	2.3725
H7	2.1707	1.1094	2.1198	2.6317	2.3725	3.5258		1.8028	2.5084	3.0891
H8	2.1707	1.1094	2.1198	2.6317	2.3725	3.5258	1.8028		3.0891	2.5084
H9	1.1094	2.1707	2.6317	2.1198	3.5258	2.3725	2.5084	3.0891		1.8028
H10	1.1094	2.1707	2.6317	2.1198	3.5258	2.3725	3.0891	2.5084	1.8028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.658	C1	C2	H7	109.586
C1	C2	H8	109.586	C1	O4	H6	108.229
C2	C1	O4	106.658	C2	C1	H9	109.586
C2	C1	H10	109.586	C2	O3	H5	108.229
O3	C2	H7	111.148	O3	C2	H8	111.148
O4	C1	H9	111.148	O4	C1	H10	111.148
H7	C2	H8	108.688	H9	C1	H10	108.688

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

using model chemistry: BLYP/aug-cc-pVDZ

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	1.163
2	C	1.163
3	O	-0.377
4	O	-0.377
5	H	0.061
6	H	0.061
7	H	-0.423
8	H	-0.423
9	H	-0.423
10	H	-0.423

	x	y	z
x	5.912	-0.106	0.000
y	-0.106	7.017	0.000
z	0.000	0.000	5.346

<r²>	98.461
(<r²>)^1/2	9.923

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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