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	hartrees
Energy at 0K	-228.687820
Energy at 298.15K	-228.694855
Nuclear repulsion energy	128.056742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3375	3344	0.00
2	A_g	2921	2894	0.00
3	A_g	1543	1529	0.00
4	A_g	1452	1439	0.00
5	A_g	1279	1267	0.00
6	A_g	1005	996	0.00
7	A_g	963	954	0.00
8	A_g	452	448	0.00
9	A_u	2975	2948	139.47
10	A_u	1170	1159	0.00
11	A_u	865	857	2.08
12	A_u	253	251	282.38
13	A_u	124	123	12.09
14	B_g	2941	2914	0.00
15	B_g	1305	1293	0.00
16	B_g	1118	1108	0.00
17	B_g	250	248	0.00
18	B_u	3376	3346	1.92
19	B_u	2928	2902	98.72
20	B_u	1555	1541	6.33
21	B_u	1400	1387	2.96
22	B_u	1187	1177	78.38
23	B_u	995	986	156.79
24	B_u	261	258	24.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.456	0.614	0.000
C2	-0.456	-0.614	0.000
O3	0.456	-1.760	0.000
O4	-0.456	1.760	0.000
H5	-0.121	-2.583	0.000
H6	0.121	2.583	0.000
H7	-1.106	-0.561	0.898
H8	-1.106	-0.561	-0.898
H9	1.106	0.561	0.898
H10	1.106	0.561	-0.898

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5288	2.3737	1.4649	3.2483	1.9977	2.1507	2.1507	1.1098	1.1098
C2	1.5288		1.4649	2.3737	1.9977	3.2483	1.1098	1.1098	2.1507	2.1507
O3	2.3737	1.4649		3.6365	1.0050	4.3561	2.1643	2.1643	2.5723	2.5723
O4	1.4649	2.3737	3.6365		4.3561	1.0050	2.5723	2.5723	2.1643	2.1643
H5	3.2483	1.9977	1.0050	4.3561		5.1717	2.4218	2.4218	3.4924	3.4924
H6	1.9977	3.2483	4.3561	1.0050	5.1717		3.4924	3.4924	2.4218	2.4218
H7	2.1507	1.1098	2.1643	2.5723	2.4218	3.4924		1.7954	2.4808	3.0623
H8	2.1507	1.1098	2.1643	2.5723	2.4218	3.4924	1.7954		3.0623	2.4808
H9	1.1098	2.1507	2.5723	2.1643	3.4924	2.4218	2.4808	3.0623		1.7954
H10	1.1098	2.1507	2.5723	2.1643	3.4924	2.4218	3.0623	2.4808	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	104.898	C1	C2	H7	108.148
C1	C2	H8	108.148	C1	O4	H6	106.468
C2	C1	O4	104.898	C2	C1	H9	108.148
C2	C1	H10	108.148	C2	O3	H5	106.468
O3	C2	H7	113.694	O3	C2	H8	113.694
O4	C1	H9	113.694	O4	C1	H10	113.694
H7	C2	H8	107.973	H9	C1	H10	107.973

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

using model chemistry: PBEPBE/3-21G

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	-0.204
2	C	-0.204
3	O	-0.524
4	O	-0.524
5	H	0.337
6	H	0.337
7	H	0.195
8	H	0.195
9	H	0.195
10	H	0.195

	x	y	z
x	4.064	0.073	0.000
y	0.073	5.329	0.000
z	0.000	0.000	3.336

<r²>	97.006
(<r²>)^1/2	9.849

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

using model chemistry: PBEPBE/3-21G

States and conformations

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