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	hartrees
Energy at 0K	-230.208746
Energy at 298.15K	-230.215611
HF Energy	-230.208746
Nuclear repulsion energy	129.728263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3789	3740	0.00
2	A_g	2929	2891	0.00
3	A_g	1489	1470	0.00
4	A_g	1441	1422	0.00
5	A_g	1259	1243	0.00
6	A_g	1035	1022	0.00
7	A_g	958	946	0.00
8	A_g	466	460	0.00
9	A_u	2983	2944	95.09
10	A_u	1198	1183	0.80
11	A_u	816	805	0.85
12	A_u	203	200	191.47
13	A_u	105	104	45.15
14	B_g	2954	2915	0.00
15	B_g	1277	1260	0.00
16	B_g	1132	1118	0.00
17	B_g	173	171	0.00
18	B_u	3790	3741	57.49
19	B_u	2935	2897	120.85
20	B_u	1500	1480	5.14
21	B_u	1377	1359	8.91
22	B_u	1168	1153	71.29
23	B_u	1017	1004	225.70
24	B_u	289	286	18.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.438	0.622	0.000
C2	-0.438	-0.622	0.000
O3	0.438	-1.754	0.000
O4	-0.438	1.754	0.000
H5	-0.100	-2.552	0.000
H6	0.100	2.552	0.000
H7	-1.082	-0.613	0.891
H8	-1.082	-0.613	-0.891
H9	1.082	0.613	0.891
H10	1.082	0.613	-0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5217	2.3759	1.4305	3.2195	1.9588	2.1523	2.1523	1.1001	1.1001
C2	1.5217		1.4305	2.3759	1.9588	3.2195	1.1001	1.1001	2.1523	2.1523
O3	2.3759	1.4305		3.6148	0.9627	4.3187	2.0990	2.0990	2.6101	2.6101
O4	1.4305	2.3759	3.6148		4.3187	0.9627	2.6101	2.6101	2.0990	2.0990
H5	3.2195	1.9588	0.9627	4.3187		5.1077	2.3488	2.3488	3.4946	3.4946
H6	1.9588	3.2195	4.3187	0.9627	5.1077		3.4946	3.4946	2.3488	2.3488
H7	2.1523	1.1001	2.0990	2.6101	2.3488	3.4946		1.7826	2.4884	3.0610
H8	2.1523	1.1001	2.0990	2.6101	2.3488	3.4946	1.7826		3.0610	2.4884
H9	1.1001	2.1523	2.6101	2.0990	3.4946	2.3488	2.4884	3.0610		1.7826
H10	1.1001	2.1523	2.6101	2.0990	3.4946	2.3488	3.0610	2.4884	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.549	C1	C2	H7	109.294
C1	C2	H8	109.294	C1	O4	H6	108.609
C2	C1	O4	107.549	C2	C1	H9	109.294
C2	C1	H10	109.294	C2	O3	H5	108.609
O3	C2	H7	111.293	O3	C2	H8	111.293
O4	C1	H9	111.293	O4	C1	H10	111.293
H7	C2	H8	108.090	H9	C1	H10	108.090

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	0.152
2	C	0.152
3	O	-0.583
4	O	-0.583
5	H	0.209
6	H	0.209
7	H	0.111
8	H	0.111
9	H	0.111
10	H	0.111

	x	y	z
x	5.548	-0.108	0.000
y	-0.108	6.552	0.000
z	0.000	0.000	5.048

<r²>	96.662
(<r²>)^1/2	9.832

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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