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	hartrees
Energy at 0K	-228.979033
Energy at 298.15K	-228.986485
Nuclear repulsion energy	131.742000

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4183	3784	0.00
2	A_g	3179	2875	0.00
3	A_g	1669	1509	0.00
4	A_g	1646	1489	0.00
5	A_g	1416	1281	0.00
6	A_g	1198	1084	0.00
7	A_g	1066	964	0.00
8	A_g	518	468	0.00
9	A_u	3229	2920	168.63
10	A_u	1356	1226	7.09
11	A_u	902	816	6.39
12	A_u	295	267	338.24
13	A_u	152	137	19.70
14	B_g	3197	2892	0.00
15	B_g	1430	1293	0.00
16	B_g	1273	1151	0.00
17	B_g	287	260	0.00
18	B_u	4184	3784	74.73
19	B_u	3181	2876	144.40
20	B_u	1677	1517	7.49
21	B_u	1552	1404	17.51
22	B_u	1299	1175	243.13
23	B_u	1190	1076	182.24
24	B_u	321	290	26.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.755	0.000
C2	0.000	-0.755	0.000
O3	1.338	-1.172	0.000
O4	-1.338	1.172	0.000
H5	1.387	-2.109	0.000
H6	-1.387	2.109	0.000
H7	-0.527	-1.114	0.880
H8	-0.527	-1.114	-0.880
H9	0.527	1.114	0.880
H10	0.527	1.114	-0.880

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5094	2.3456	1.4016	3.1822	1.9389	2.1315	2.1315	1.0868	1.0868
C2	1.5094		1.4016	2.3456	1.9389	3.1822	1.0868	1.0868	2.1315	2.1315
O3	2.3456	1.4016		3.5573	0.9387	4.2653	2.0634	2.0634	2.5797	2.5797
O4	1.4016	2.3456	3.5573		4.2653	0.9387	2.5797	2.5797	2.0634	2.0634
H5	3.1822	1.9389	0.9387	4.2653		5.0491	2.3305	2.3305	3.4497	3.4497
H6	1.9389	3.1822	4.2653	0.9387	5.0491		3.4497	3.4497	2.3305	2.3305
H7	2.1315	1.0868	2.0634	2.5797	2.3305	3.4497		1.7597	2.4645	3.0283
H8	2.1315	1.0868	2.0634	2.5797	2.3305	3.4497	1.7597		3.0283	2.4645
H9	1.0868	2.1315	2.5797	2.0634	3.4497	2.3305	2.4645	3.0283		1.7597
H10	1.0868	2.1315	2.5797	2.0634	3.4497	2.3305	3.0283	2.4645	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.310	C1	C2	H7	109.289
C1	C2	H8	109.289	C1	O4	H6	110.319
C2	C1	O4	107.310	C2	C1	H9	109.289
C2	C1	H10	109.289	C2	O3	H5	110.319
O3	C2	H7	111.406	O3	C2	H8	111.406
O4	C1	H9	111.406	O4	C1	H10	111.406
H7	C2	H8	108.109	H9	C1	H10	108.109

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

using model chemistry: HF/6-311G*

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	CHELPG	ESP
1	C	-0.121	0.379	0.316
2	C	-0.121	0.379	0.315
3	O	-0.678	-0.789	-0.769
4	O	-0.678	-0.789	-0.770
5	H	0.423	0.460	0.460
6	H	0.423	0.460	0.460
7	H	0.188	-0.025	-0.003
8	H	0.188	-0.025	-0.003
9	H	0.188	-0.025	-0.003
10	H	0.188	-0.025	-0.003

	x	y	z
x	4.221	-0.313	0.000
y	-0.313	4.645	0.000
z	0.000	0.000	3.626

<r²>	93.931
(<r²>)^1/2	9.692

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

using model chemistry: HF/6-311G*

States and conformations

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