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	hartrees
Energy at 0K	-230.235715
Energy at 298.15K	-230.242848
Nuclear repulsion energy	130.083262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3765	3607	0.00
2	A_g	3002	2876	0.00
3	A_g	1555	1490	0.00
4	A_g	1510	1447	0.00
5	A_g	1309	1254	0.00
6	A_g	1097	1051	0.00
7	A_g	995	953	0.00
8	A_g	481	461	0.00
9	A_u	3053	2924	134.99
10	A_u	1236	1184	2.17
11	A_u	844	809	3.19
12	A_u	255	244	255.32
13	A_u	128	123	24.72
14	B_g	3024	2897	0.00
15	B_g	1317	1261	0.00
16	B_g	1175	1126	0.00
17	B_g	247	237	0.00
18	B_u	3766	3608	34.53
19	B_u	3007	2880	116.07
20	B_u	1566	1501	7.39
21	B_u	1433	1373	12.57
22	B_u	1208	1157	107.53
23	B_u	1086	1040	211.32
24	B_u	296	283	20.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.436	0.622	0.000
C2	-0.436	-0.622	0.000
O3	0.436	-1.745	0.000
O4	-0.436	1.745	0.000
H5	-0.109	-2.545	0.000
H6	0.109	2.545	0.000
H7	-1.085	-0.604	0.889
H8	-1.085	-0.604	-0.889
H9	1.085	0.604	0.889
H10	1.085	0.604	-0.889

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5203	2.3676	1.4224	3.2142	1.9506	2.1472	2.1472	1.1008	1.1008
C2	1.5203		1.4224	2.3676	1.9506	3.2142	1.1008	1.1008	2.1472	2.1472
O3	2.3676	1.4224		3.5980	0.9683	4.3030	2.0997	2.0997	2.5944	2.5944
O4	1.4224	2.3676	3.5980		4.3030	0.9683	2.5944	2.5944	2.0997	2.0997
H5	3.2142	1.9506	0.9683	4.3030		5.0952	2.3478	2.3478	3.4836	3.4836
H6	1.9506	3.2142	4.3030	0.9683	5.0952		3.4836	3.4836	2.3478	2.3478
H7	2.1472	1.1008	2.0997	2.5944	2.3478	3.4836		1.7784	2.4841	3.0551
H8	2.1472	1.1008	2.0997	2.5944	2.3478	3.4836	1.7784		3.0551	2.4841
H9	1.1008	2.1472	2.5944	2.0997	3.4836	2.3478	2.4841	3.0551		1.7784
H10	1.1008	2.1472	2.5944	2.0997	3.4836	2.3478	3.0551	2.4841	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.092	C1	C2	H7	108.955
C1	C2	H8	108.955	C1	O4	H6	107.852
C2	C1	O4	107.092	C2	C1	H9	108.955
C2	C1	H10	108.955	C2	O3	H5	107.852
O3	C2	H7	112.011	O3	C2	H8	112.011
O4	C1	H9	112.011	O4	C1	H10	112.011
H7	C2	H8	107.751	H9	C1	H10	107.751

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

using model chemistry: B3LYPultrafine/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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Number	Element	Mulliken
1	C	-0.038
2	C	-0.038
3	O	-0.622
4	O	-0.622
5	H	0.396
6	H	0.396
7	H	0.132
8	H	0.132
9	H	0.132
10	H	0.132

	x	y	z
x	4.209	0.080	0.000
y	0.080	5.181	0.000
z	0.000	0.000	3.702

<r²>	95.475
(<r²>)^1/2	9.771

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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