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	hartrees
Energy at 0K	-230.300158
Energy at 298.15K	-230.307331
Nuclear repulsion energy	130.269647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3807	3679	0.00
2	A_g	2992	2891	0.00
3	A_g	1539	1487	0.00
4	A_g	1505	1454	0.00
5	A_g	1307	1263	0.00
6	A_g	1081	1044	0.00
7	A_g	995	961	0.00
8	A_g	481	464	0.00
9	A_u	3044	2941	136.21
10	A_u	1235	1194	1.68
11	A_u	847	818	3.50
12	A_u	266	257	289.58
13	A_u	129	125	21.91
14	B_g	3013	2912	0.00
15	B_g	1317	1273	0.00
16	B_g	1167	1128	0.00
17	B_g	254	246	0.00
18	B_u	3808	3680	27.65
19	B_u	2997	2896	130.84
20	B_u	1550	1498	5.07
21	B_u	1429	1381	7.62
22	B_u	1207	1166	126.01
23	B_u	1070	1033	209.37
24	B_u	295	285	23.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.757	0.000
C2	0.000	-0.757	0.000
O3	1.361	-1.175	0.000
O4	-1.361	1.175	0.000
H5	1.386	-2.136	0.000
H6	-1.386	2.136	0.000
H7	-0.536	-1.115	0.889
H8	-0.536	-1.115	-0.889
H9	0.536	1.115	0.889
H10	0.536	1.115	-0.889

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5148	2.3632	1.4234	3.2086	1.9551	2.1414	2.1414	1.0982	1.0982
C2	1.5148		1.4234	2.3632	1.9551	3.2086	1.0982	1.0982	2.1414	2.1414
O3	2.3632	1.4234		3.5954	0.9621	4.3020	2.0959	2.0959	2.5913	2.5913
O4	1.4234	2.3632	3.5954		4.3020	0.9621	2.5913	2.5913	2.0959	2.0959
H5	3.2086	1.9551	0.9621	4.3020		5.0931	2.3509	2.3509	3.4767	3.4767
H6	1.9551	3.2086	4.3020	0.9621	5.0931		3.4767	3.4767	2.3509	2.3509
H7	2.1414	1.0982	2.0959	2.5913	2.3509	3.4767		1.7780	2.4753	3.0477
H8	2.1414	1.0982	2.0959	2.5913	2.3509	3.4767	1.7780		3.0477	2.4753
H9	1.0982	2.1414	2.5913	2.0959	3.4767	2.3509	2.4753	3.0477		1.7780
H10	1.0982	2.1414	2.5913	2.0959	3.4767	2.3509	3.0477	2.4753	1.7780

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.044	C1	C2	H7	109.028
C1	C2	H8	109.028	C1	O4	H6	108.530
C2	C1	O4	107.044	C2	C1	H9	109.028
C2	C1	H10	109.028	C2	O3	H5	108.530
O3	C2	H7	111.792	O3	C2	H8	111.792
O4	C1	H9	111.792	O4	C1	H10	111.792
H7	C2	H8	108.098	H9	C1	H10	108.098

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

using model chemistry: B3LYP/6-311G*

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	ESP
1	C	-0.189	0.223
2	C	-0.189	0.236
3	O	-0.576	-0.680
4	O	-0.576	-0.679
5	H	0.389	0.423
6	H	0.389	0.424
7	H	0.188	0.012
8	H	0.188	0.012
9	H	0.188	0.014
10	H	0.188	0.014

	x	y	z
x	4.669	-0.374	0.000
y	-0.374	5.198	0.000
z	0.000	0.000	3.907

<r²>	95.505
(<r²>)^1/2	9.773

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

using model chemistry: B3LYP/6-311G*

States and conformations

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