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	hartrees
Energy at 0K	-230.169827
Energy at 298.15K	-230.176817
Nuclear repulsion energy	128.927337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3678	3650	0.00
2	A_g	2904	2882	0.00
3	A_g	1502	1490	0.00
4	A_g	1449	1438	0.00
5	A_g	1264	1254	0.00
6	A_g	1034	1026	0.00
7	A_g	954	947	0.00
8	A_g	462	459	0.00
9	A_u	2953	2931	140.75
10	A_u	1188	1179	1.12
11	A_u	820	814	2.47
12	A_u	239	237	223.76
13	A_u	117	117	24.62
14	B_g	2925	2903	0.00
15	B_g	1269	1259	0.00
16	B_g	1135	1126	0.00
17	B_g	229	227	0.00
18	B_u	3679	3651	17.48
19	B_u	2910	2888	123.76
20	B_u	1513	1501	7.25
21	B_u	1381	1371	10.48
22	B_u	1169	1160	88.44
23	B_u	1018	1011	205.74
24	B_u	284	282	18.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.766	0.000
C2	0.000	-0.766	0.000
O3	1.376	-1.186	0.000
O4	-1.376	1.186	0.000
H5	1.378	-2.161	0.000
H6	-1.378	2.161	0.000
H7	-0.547	-1.125	0.895
H8	-0.547	-1.125	-0.895
H9	0.547	1.125	0.895
H10	0.547	1.125	-0.895

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5317	2.3879	1.4389	3.2351	1.9610	2.1623	2.1623	1.1084	1.1084
C2	1.5317		1.4389	2.3879	1.9610	3.2351	1.1084	1.1084	2.1623	2.1623
O3	2.3879	1.4389		3.6330	0.9756	4.3343	2.1220	2.1220	2.6129	2.6129
O4	1.4389	2.3879	3.6330		4.3343	0.9756	2.6129	2.6129	2.1220	2.1220
H5	3.2351	1.9610	0.9756	4.3343		5.1261	2.3620	2.3620	3.5058	3.5058
H6	1.9610	3.2351	4.3343	0.9756	5.1261		3.5058	3.5058	2.3620	2.3620
H7	2.1623	1.1084	2.1220	2.6129	2.3620	3.5058		1.7892	2.5022	3.0761
H8	2.1623	1.1084	2.1220	2.6129	2.3620	3.5058	1.7892		3.0761	2.5022
H9	1.1084	2.1623	2.6129	2.1220	3.5058	2.3620	2.5022	3.0761		1.7892
H10	1.1084	2.1623	2.6129	2.1220	3.5058	2.3620	3.0761	2.5022	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.958	C1	C2	H7	108.916
C1	C2	H8	108.916	C1	O4	H6	107.060
C2	C1	O4	106.958	C2	C1	H9	108.916
C2	C1	H10	108.916	C2	O3	H5	107.060
O3	C2	H7	112.178	O3	C2	H8	112.178
O4	C1	H9	112.178	O4	C1	H10	112.178
H7	C2	H8	107.621	H9	C1	H10	107.621

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

using model chemistry: BLYP/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	0.055
2	C	0.055
3	O	-0.510
4	O	-0.510
5	H	0.295
6	H	0.295
7	H	0.080
8	H	0.080
9	H	0.080
10	H	0.080

<r²>	96.953
(<r²>)^1/2	9.846

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

using model chemistry: BLYP/6-31G**

States and conformations

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