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	hartrees
Energy at 0K	-229.994274
Energy at 298.15K	-230.001427
HF Energy	-229.792430
Nuclear repulsion energy	130.274606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3795	3602	0.00
2	A_g	3047	2893	0.00
3	A_g	1577	1496	0.00
4	A_g	1528	1451	0.00
5	A_g	1321	1253	0.00
6	A_g	1106	1050	0.00
7	A_g	1013	961	0.00
8	A_g	485	460	0.00
9	A_u	3104	2946	122.25
10	A_u	1249	1185	2.34
11	A_u	853	810	3.50
12	A_u	251	238	262.42
13	A_u	133	126	27.24
14	B_g	3078	2921	0.00
15	B_g	1333	1265	0.00
16	B_g	1189	1128	0.00
17	B_g	245	232	0.00
18	B_u	3796	3603	44.60
19	B_u	3052	2897	104.54
20	B_u	1587	1506	7.10
21	B_u	1444	1371	12.04
22	B_u	1216	1155	113.12
23	B_u	1093	1038	203.36
24	B_u	298	283	22.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.438	0.619	0.000
C2	-0.438	-0.619	0.000
O3	0.438	-1.743	0.000
O4	-0.438	1.743	0.000
H5	-0.108	-2.543	0.000
H6	0.108	2.543	0.000
H7	-1.082	-0.604	0.888
H8	-1.082	-0.604	-0.888
H9	1.082	0.604	0.888
H10	1.082	0.604	-0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5160	2.3623	1.4248	3.2082	1.9516	2.1433	2.1433	1.0976	1.0976
C2	1.5160		1.4248	2.3623	1.9516	3.2082	1.0976	1.0976	2.1433	2.1433
O3	2.3623	1.4248		3.5948	0.9677	4.2985	2.0971	2.0971	2.5908	2.5908
O4	1.4248	2.3623	3.5948		4.2985	0.9677	2.5908	2.5908	2.0971	2.0971
H5	3.2082	1.9516	0.9677	4.2985		5.0896	2.3446	2.3446	3.4791	3.4791
H6	1.9516	3.2082	4.2985	0.9677	5.0896		3.4791	3.4791	2.3446	2.3446
H7	2.1433	1.0976	2.0971	2.5908	2.3446	3.4791		1.7760	2.4787	3.0493
H8	2.1433	1.0976	2.0971	2.5908	2.3446	3.4791	1.7760		3.0493	2.4787
H9	1.0976	2.1433	2.5908	2.0971	3.4791	2.3446	2.4787	3.0493		1.7760
H10	1.0976	2.1433	2.5908	2.0971	3.4791	2.3446	3.0493	2.4787	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.846	C1	C2	H7	109.131
C1	C2	H8	109.131	C1	O4	H6	107.777
C2	C1	O4	106.846	C2	C1	H9	109.131
C2	C1	H10	109.131	C2	O3	H5	107.777
O3	C2	H7	111.835	O3	C2	H8	111.835
O4	C1	H9	111.835	O4	C1	H10	111.835
H7	C2	H8	108.011	H9	C1	H10	108.011

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

using model chemistry: B2PLYP/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	-0.026
2	C	-0.026
3	O	-0.678
4	O	-0.678
5	H	0.416
6	H	0.416
7	H	0.144
8	H	0.144
9	H	0.144
10	H	0.144

	x	y	z
x	4.148	0.058	0.000
y	0.058	5.082	0.000
z	0.000	0.000	3.656

<r²>	95.203
(<r²>)^1/2	9.757

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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