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	hartrees
Energy at 0K	-230.207205
Energy at 298.15K	-230.214166
HF Energy	-230.207205
Nuclear repulsion energy	129.600583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3767	3713	0.00
2	A_g	2933	2890	0.00
3	A_g	1492	1470	0.00
4	A_g	1454	1433	0.00
5	A_g	1268	1250	0.00
6	A_g	1031	1016	0.00
7	A_g	962	949	0.00
8	A_g	467	460	0.00
9	A_u	2988	2945	116.63
10	A_u	1202	1185	0.88
11	A_u	828	816	2.00
12	A_u	224	221	228.71
13	A_u	114	112	41.32
14	B_g	2958	2916	0.00
15	B_g	1282	1264	0.00
16	B_g	1135	1118	0.00
17	B_g	200	197	0.00
18	B_u	3768	3714	47.60
19	B_u	2939	2897	126.49
20	B_u	1504	1482	5.51
21	B_u	1385	1365	2.58
22	B_u	1178	1161	85.78
23	B_u	1012	998	220.89
24	B_u	292	287	21.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.438	0.621	0.000
C2	-0.438	-0.621	0.000
O3	0.438	-1.756	0.000
O4	-0.438	1.756	0.000
H5	-0.109	-2.551	0.000
H6	0.109	2.551	0.000
H7	-1.083	-0.608	0.893
H8	-1.083	-0.608	-0.893
H9	1.083	0.608	0.893
H10	1.083	0.608	-0.893

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5209	2.3772	1.4334	3.2188	1.9570	2.1502	2.1502	1.1015	1.1015
C2	1.5209		1.4334	2.3772	1.9570	3.2188	1.1015	1.1015	2.1502	2.1502
O3	2.3772	1.4334		3.6191	0.9648	4.3188	2.1047	2.1047	2.6076	2.6076
O4	1.4334	2.3772	3.6191		4.3188	0.9648	2.6076	2.6076	2.1047	2.1047
H5	3.2188	1.9570	0.9648	4.3188		5.1057	2.3496	2.3496	3.4919	3.4919
H6	1.9570	3.2188	4.3188	0.9648	5.1057		3.4919	3.4919	2.3496	2.3496
H7	2.1502	1.1015	2.1047	2.6076	2.3496	3.4919		1.7853	2.4846	3.0595
H8	2.1502	1.1015	2.1047	2.6076	2.3496	3.4919	1.7853		3.0595	2.4846
H9	1.1015	2.1502	2.6076	2.1047	3.4919	2.3496	2.4846	3.0595		1.7853
H10	1.1015	2.1502	2.6076	2.1047	3.4919	2.3496	3.0595	2.4846	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.116	C1	C2	H7	109.116
C1	C2	H8	109.116	C1	O4	H6	107.776
C2	C1	O4	107.116	C2	C1	H9	109.116
C2	C1	H10	109.116	C2	O3	H5	107.776
O3	C2	H7	111.586	O3	C2	H8	111.586
O4	C1	H9	111.586	O4	C1	H10	111.586
H7	C2	H8	108.271	H9	C1	H10	108.271

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

using model chemistry: B97D3/TZVP

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	-0.073
2	C	-0.073
3	O	-0.377
4	O	-0.377
5	H	0.266
6	H	0.266
7	H	0.092
8	H	0.092
9	H	0.092
10	H	0.092

	x	y	z
x	4.992	0.015	0.000
y	0.015	5.883	0.000
z	0.000	0.000	4.491

<r²>	96.580
(<r²>)^1/2	9.828

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

using model chemistry: B97D3/TZVP

States and conformations

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