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	hartrees
Energy at 0K	-229.024822
Energy at 298.15K	-229.032141
Nuclear repulsion energy	131.751407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4209	3824	0.00
2	A_g	3150	2862	0.00
3	A_g	1651	1500	0.00
4	A_g	1618	1470	0.00
5	A_g	1387	1261	0.00
6	A_g	1192	1083	0.00
7	A_g	1054	957	0.00
8	A_g	516	469	0.00
9	A_u	3200	2908	112.63
10	A_u	1344	1221	4.86
11	A_u	891	809	2.24
12	A_u	253	229	255.12
13	A_u	144	131	31.96
14	B_g	3169	2879	0.00
15	B_g	1417	1287	0.00
16	B_g	1266	1150	0.00
17	B_g	237	215	0.00
18	B_u	4209	3824	140.00
19	B_u	3153	2865	120.05
20	B_u	1658	1507	6.88
21	B_u	1531	1391	16.79
22	B_u	1276	1159	171.76
23	B_u	1182	1074	216.32
24	B_u	321	292	22.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.430	0.622	0.000
C2	-0.430	-0.622	0.000
O3	0.430	-1.727	0.000
O4	-0.430	1.727	0.000
H5	-0.062	-2.526	0.000
H6	0.062	2.526	0.000
H7	-1.067	-0.618	0.879
H8	-1.067	-0.618	-0.879
H9	1.067	0.618	0.879
H10	1.067	0.618	-0.879

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5118	2.3489	1.3997	3.1860	1.9392	2.1329	2.1329	1.0858	1.0858
C2	1.5118		1.3997	2.3489	1.9392	3.1860	1.0858	1.0858	2.1329	2.1329
O3	2.3489	1.3997		3.5591	0.9379	4.2687	2.0597	2.0597	2.5839	2.5839
O4	1.3997	2.3489	3.5591		4.2687	0.9379	2.5839	2.5839	2.0597	2.0597
H5	3.1860	1.9392	0.9379	4.2687		5.0534	2.3290	2.3290	3.4539	3.4539
H6	1.9392	3.1860	4.2687	0.9379	5.0534		3.4539	3.4539	2.3290	2.3290
H7	2.1329	1.0858	2.0597	2.5839	2.3290	3.4539		1.7582	2.4656	3.0283
H8	2.1329	1.0858	2.0597	2.5839	2.3290	3.4539	1.7582		3.0283	2.4656
H9	1.0858	2.1329	2.5839	2.0597	3.4539	2.3290	2.4656	3.0283		1.7582
H10	1.0858	2.1329	2.5839	2.0597	3.4539	2.3290	3.0283	2.4656	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.498	C1	C2	H7	109.291
C1	C2	H8	109.291	C1	O4	H6	110.550
C2	C1	O4	107.498	C2	C1	H9	109.291
C2	C1	H10	109.291	C2	O3	H5	110.550
O3	C2	H7	111.304	O3	C2	H8	111.304
O4	C1	H9	111.304	O4	C1	H10	111.304
H7	C2	H8	108.124	H9	C1	H10	108.124

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

using model chemistry: HF/6-311+G(3df,2p)

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	0.286
2	C	0.286
3	O	-0.715
4	O	-0.715
5	H	0.197
6	H	0.197
7	H	0.116
8	H	0.116
9	H	0.116
10	H	0.116

	x	y	z
x	4.786	-0.072	0.000
y	-0.072	5.619	0.000
z	0.000	0.000	4.385

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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