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	hartrees
Energy at 0K	-230.173326
Energy at 298.15K	-230.180453
Nuclear repulsion energy	130.470260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3837	3703	0.00
2	A_g	2984	2879	0.00
3	A_g	1501	1448	0.00
4	A_g	1485	1433	0.00
5	A_g	1293	1248	0.00
6	A_g	1115	1076	0.00
7	A_g	1003	968	0.00
8	A_g	482	465	0.00
9	A_u	3041	2934	126.76
10	A_u	1211	1168	1.19
11	A_u	836	806	1.96
12	A_u	251	242	228.67
13	A_u	125	120	20.52
14	B_g	3012	2906	0.00
15	B_g	1291	1245	0.00
16	B_g	1152	1112	0.00
17	B_g	243	234	0.00
18	B_u	3838	3704	71.66
19	B_u	2987	2882	120.76
20	B_u	1509	1456	5.76
21	B_u	1402	1353	10.75
22	B_u	1193	1151	84.67
23	B_u	1106	1067	225.91
24	B_u	287	277	18.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.757	0.000
C2	0.000	-0.757	0.000
O3	1.350	-1.178	0.000
O4	-1.350	1.178	0.000
H5	1.356	-2.142	0.000
H6	-1.356	2.142	0.000
H7	-0.552	-1.113	0.893
H8	-0.552	-1.113	-0.893
H9	0.552	1.113	0.893
H10	0.552	1.113	-0.893

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5147	2.3595	1.4140	3.2010	1.9381	2.1446	2.1446	1.1083	1.1083
C2	1.5147		1.4140	2.3595	1.9381	3.2010	1.1083	1.1083	2.1446	2.1446
O3	2.3595	1.4140		3.5831	0.9647	4.2831	2.1021	2.1021	2.5848	2.5848
O4	1.4140	2.3595	3.5831		4.2831	0.9647	2.5848	2.5848	2.1021	2.1021
H5	3.2010	1.9381	0.9647	4.2831		5.0706	2.3444	2.3444	3.4698	3.4698
H6	1.9381	3.2010	4.2831	0.9647	5.0706		3.4698	3.4698	2.3444	2.3444
H7	2.1446	1.1083	2.1021	2.5848	2.3444	3.4698		1.7860	2.4842	3.0596
H8	2.1446	1.1083	2.1021	2.5848	2.3444	3.4698	1.7860		3.0596	2.4842
H9	1.1083	2.1446	2.5848	2.1021	3.4698	2.3444	2.4842	3.0596		1.7860
H10	1.1083	2.1446	2.5848	2.1021	3.4698	2.3444	3.0596	2.4842	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.294	C1	C2	H7	108.705
C1	C2	H8	108.705	C1	O4	H6	107.633
C2	C1	O4	107.294	C2	C1	H9	108.705
C2	C1	H10	108.705	C2	O3	H5	107.633
O3	C2	H7	112.337	O3	C2	H8	112.337
O4	C1	H9	112.337	O4	C1	H10	112.337
H7	C2	H8	107.367	H9	C1	H10	107.367

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

using model chemistry: B3PW91/cc-pVDZ

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	0.071
2	C	0.071
3	O	-0.282
4	O	-0.282
5	H	0.151
6	H	0.151
7	H	0.030
8	H	0.030
9	H	0.030
10	H	0.030

<r²>	94.819
(<r²>)^1/2	9.737

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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