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	hartrees
Energy at 0K	-230.068545
Energy at 298.15K	-230.075461
Nuclear repulsion energy	129.741405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3728	3703	0.00
2	A_g	2906	2886	0.00
3	A_g	1469	1459	0.00
4	A_g	1433	1423	0.00
5	A_g	1253	1244	0.00
6	A_g	1051	1044	0.00
7	A_g	965	958	0.00
8	A_g	465	462	0.00
9	A_u	2958	2938	101.05
10	A_u	1177	1169	0.56
11	A_u	810	804	1.15
12	A_u	217	216	198.14
13	A_u	106	106	33.19
14	B_g	2928	2908	0.00
15	B_g	1260	1252	0.00
16	B_g	1120	1113	0.00
17	B_g	196	195	0.00
18	B_u	3729	3704	51.43
19	B_u	2913	2893	117.11
20	B_u	1482	1471	4.14
21	B_u	1366	1357	9.01
22	B_u	1161	1153	66.33
23	B_u	1037	1030	218.34
24	B_u	282	280	17.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.437	0.622	0.000
C2	-0.437	-0.622	0.000
O3	0.437	-1.751	0.000
O4	-0.437	1.751	0.000
H5	-0.113	-2.549	0.000
H6	0.113	2.549	0.000
H7	-1.088	-0.602	0.894
H8	-1.088	-0.602	-0.894
H9	1.088	0.602	0.894
H10	1.088	0.602	-0.894

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5198	2.3725	1.4280	3.2178	1.9541	2.1497	2.1497	1.1058	1.1058
C2	1.5198		1.4280	2.3725	1.9541	3.2178	1.1058	1.1058	2.1497	2.1497
O3	2.3725	1.4280		3.6091	0.9693	4.3118	2.1082	2.1082	2.5995	2.5995
O4	1.4280	2.3725	3.6091		4.3118	0.9693	2.5995	2.5995	2.1082	2.1082
H5	3.2178	1.9541	0.9693	4.3118		5.1026	2.3536	2.3536	3.4882	3.4882
H6	1.9541	3.2178	4.3118	0.9693	5.1026		3.4882	3.4882	2.3536	2.3536
H7	2.1497	1.1058	2.1082	2.5995	2.3536	3.4882		1.7875	2.4865	3.0624
H8	2.1497	1.1058	2.1082	2.5995	2.3536	3.4882	1.7875		3.0624	2.4865
H9	1.1058	2.1497	2.5995	2.1082	3.4882	2.3536	2.4865	3.0624		1.7875
H10	1.1058	2.1497	2.5995	2.1082	3.4882	2.3536	3.0624	2.4865	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.147	C1	C2	H7	108.896
C1	C2	H8	108.896	C1	O4	H6	107.666
C2	C1	O4	107.147	C2	C1	H9	108.896
C2	C1	H10	108.896	C2	O3	H5	107.666
O3	C2	H7	111.990	O3	C2	H8	111.990
O4	C1	H9	111.990	O4	C1	H10	111.990
H7	C2	H8	107.851	H9	C1	H10	107.851

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

using model chemistry: PBEPBE/cc-pVTZ

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	0.015
2	C	0.015
3	O	-0.317
4	O	-0.317
5	H	0.197
6	H	0.197
7	H	0.053
8	H	0.053
9	H	0.053
10	H	0.053

	x	y	z
x	5.204	0.105	0.000
y	0.105	6.190	0.000
z	0.000	0.000	4.569

<r²>	96.219
(<r²>)^1/2	9.809

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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