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	hartrees
Energy at 0K	-229.037093
Energy at 298.15K	-229.044419
HF Energy	-229.037093
Nuclear repulsion energy	131.707697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4191	3798	0.00
2	A_g	3154	2859	0.00
3	A_g	1651	1496	0.00
4	A_g	1621	1469	0.00
5	A_g	1389	1259	0.00
6	A_g	1190	1079	0.00
7	A_g	1055	956	0.00
8	A_g	515	467	0.00
9	A_u	3204	2904	124.40
10	A_u	1344	1218	5.01
11	A_u	891	808	2.86
12	A_u	255	231	252.96
13	A_u	146	132	32.05
14	B_g	3173	2876	0.00
15	B_g	1419	1286	0.00
16	B_g	1265	1147	0.00
17	B_g	244	221	0.00
18	B_u	4191	3798	133.31
19	B_u	3157	2862	123.88
20	B_u	1659	1504	6.50
21	B_u	1535	1391	16.34
22	B_u	1279	1159	169.50
23	B_u	1180	1069	220.43
24	B_u	321	291	21.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.429	0.622	0.000
C2	-0.429	-0.622	0.000
O3	0.429	-1.735	0.000
O4	-0.429	1.735	0.000
H5	-0.073	-2.526	0.000
H6	0.073	2.526	0.000
H7	-1.064	-0.629	0.878
H8	-1.064	-0.629	-0.878
H9	1.064	0.629	0.878
H10	1.064	0.629	-0.878

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5116	2.3566	1.4056	3.1880	1.9372	2.1371	2.1371	1.0839	1.0839
C2	1.5116		1.4056	2.3566	1.9372	3.1880	1.0839	1.0839	2.1371	2.1371
O3	2.3566	1.4056		3.5741	0.9377	4.2757	2.0556	2.0556	2.6002	2.6002
O4	1.4056	2.3566	3.5741		4.2757	0.9377	2.6002	2.6002	2.0556	2.0556
H5	3.1880	1.9372	0.9377	4.2757		5.0545	2.3137	2.3137	3.4670	3.4670
H6	1.9372	3.1880	4.2757	0.9377	5.0545		3.4670	3.4670	2.3137	2.3137
H7	2.1371	1.0839	2.0556	2.6002	2.3137	3.4670		1.7570	2.4723	3.0330
H8	2.1371	1.0839	2.0556	2.6002	2.3137	3.4670	1.7570		3.0330	2.4723
H9	1.0839	2.1371	2.6002	2.0556	3.4670	2.3137	2.4723	3.0330		1.7570
H10	1.0839	2.1371	2.6002	2.0556	3.4670	2.3137	3.0330	2.4723	1.7570

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.714	C1	C2	H7	109.756
C1	C2	H8	109.756	C1	O4	H6	109.916
C2	C1	O4	107.714	C2	C1	H9	109.756
C2	C1	H10	109.756	C2	O3	H5	109.916
O3	C2	H7	110.659	O3	C2	H8	110.659
O4	C1	H9	110.659	O4	C1	H10	110.659
H7	C2	H8	108.294	H9	C1	H10	108.294

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

using model chemistry: HF/Def2TZVPP

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	0.139
2	C	0.139
3	O	-0.422
4	O	-0.422
5	H	0.202
6	H	0.202
7	H	0.041
8	H	0.041
9	H	0.041
10	H	0.041

	x	y	z
x	4.608	0.009	0.000
y	0.009	5.400	0.000
z	0.000	0.000	4.186

<r²>	94.181
(<r²>)^1/2	9.705

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

using model chemistry: HF/Def2TZVPP

States and conformations

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