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	hartrees
Energy at 0K	-229.573848
Energy at 298.15K	-229.581040
HF Energy	-228.919673
Nuclear repulsion energy	130.091475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3784	3603	0.00
2	A_g	3039	2894	0.00
3	A_g	1580	1505	0.00
4	A_g	1537	1464	0.00
5	A_g	1331	1268	0.00
6	A_g	1122	1068	0.00
7	A_g	1027	978	0.00
8	A_g	488	465	0.00
9	A_u	3095	2947	111.84
10	A_u	1252	1192	2.75
11	A_u	853	813	4.00
12	A_u	258	245	273.27
13	A_u	135	129	27.70
14	B_g	3070	2923	0.00
15	B_g	1332	1268	0.00
16	B_g	1194	1137	0.00
17	B_g	252	240	0.00
18	B_u	3784	3604	43.18
19	B_u	3042	2897	92.58
20	B_u	1589	1513	6.54
21	B_u	1446	1377	14.66
22	B_u	1225	1167	128.67
23	B_u	1107	1054	181.18
24	B_u	301	287	24.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.758	0.000
C2	0.000	-0.758	0.000
O3	1.369	-1.163	0.000
O4	-1.369	1.163	0.000
H5	1.391	-2.133	0.000
H6	-1.391	2.133	0.000
H7	-0.535	-1.119	0.892
H8	-0.535	-1.119	-0.892
H9	0.535	1.119	0.892
H10	0.535	1.119	-0.892

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5155	2.3583	1.4272	3.2079	1.9562	2.1459	2.1459	1.1008	1.1008
C2	1.5155		1.4272	2.3583	1.9562	3.2079	1.1008	1.1008	2.1459	2.1459
O3	2.3583	1.4272		3.5916	0.9701	4.2986	2.1023	2.1023	2.5882	2.5882
O4	1.4272	2.3583	3.5916		4.2986	0.9701	2.5882	2.5882	2.1023	2.1023
H5	3.2079	1.9562	0.9701	4.2986		5.0929	2.3521	2.3521	3.4792	3.4792
H6	1.9562	3.2079	4.2986	0.9701	5.0929		3.4792	3.4792	2.3521	2.3521
H7	2.1459	1.1008	2.1023	2.5882	2.3521	3.4792		1.7831	2.4814	3.0556
H8	2.1459	1.1008	2.1023	2.5882	2.3521	3.4792	1.7831		3.0556	2.4814
H9	1.1008	2.1459	2.5882	2.1023	3.4792	2.3521	2.4814	3.0556		1.7831
H10	1.1008	2.1459	2.5882	2.1023	3.4792	2.3521	3.0556	2.4814	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.488	C1	C2	H7	109.184
C1	C2	H8	109.184	C1	O4	H6	107.844
C2	C1	O4	106.488	C2	C1	H9	109.184
C2	C1	H10	109.184	C2	O3	H5	107.844
O3	C2	H7	111.880	O3	C2	H8	111.880
O4	C1	H9	111.880	O4	C1	H10	111.880
H7	C2	H8	108.171	H9	C1	H10	108.171

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

using model chemistry: QCISD/6-31G*

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

using model chemistry: QCISD/6-31G*

States and conformations

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