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	hartrees
Energy at 0K	-225.958533
Energy at 298.15K	-225.965784
Nuclear repulsion energy	128.635872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4233	3457	0.00
2	A_g	3549	2898	0.00
3	A_g	1837	1500	0.00
4	A_g	1809	1477	0.00
5	A_g	1598	1305	0.00
6	A_g	1329	1085	0.00
7	A_g	1147	936	0.00
8	A_g	500	408	0.00
9	A_u	3669	2996	19.67
10	A_u	1398	1141	16.05
11	A_u	940	767	2.76
12	A_u	337	275	172.97
13	A_u	100	82	6.42
14	B_g	3657	2986	0.00
15	B_g	1518	1240	0.00
16	B_g	1288	1052	0.00
17	B_g	347	284	0.00
18	B_u	4235	3458	45.87
19	B_u	3551	2899	12.36
20	B_u	1845	1506	3.00
21	B_u	1727	1410	20.19
22	B_u	1446	1180	75.35
23	B_u	1328	1084	9.77
24	B_u	309	252	15.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.438	0.639	0.000
C2	-0.438	-0.639	0.000
O3	0.438	-1.775	0.000
O4	-0.438	1.775	0.000
H5	-0.178	-2.551	0.000
H6	0.178	2.551	0.000
H7	-1.086	-0.627	0.884
H8	-1.086	-0.627	-0.884
H9	1.086	0.627	0.884
H10	1.086	0.627	-0.884

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5495	2.4142	1.4347	3.2490	1.9298	2.1701	2.1701	1.0967	1.0967
C2	1.5495		1.4347	2.4142	1.9298	3.2490	1.0967	1.0967	2.1701	2.1701
O3	2.4142	1.4347		3.6569	0.9905	4.3342	2.1034	2.1034	2.6408	2.6408
O4	1.4347	2.4142	3.6569		4.3342	0.9905	2.6408	2.6408	2.1034	2.1034
H5	3.2490	1.9298	0.9905	4.3342		5.1147	2.3044	2.3044	3.5329	3.5329
H6	1.9298	3.2490	4.3342	0.9905	5.1147		3.5329	3.5329	2.3044	2.3044
H7	2.1701	1.0967	2.1034	2.6408	2.3044	3.5329		1.7687	2.5090	3.0697
H8	2.1701	1.0967	2.1034	2.6408	2.3044	3.5329	1.7687		3.0697	2.5090
H9	1.0967	2.1701	2.6408	2.1034	3.5329	2.3044	2.5090	3.0697		1.7687
H10	1.0967	2.1701	2.6408	2.1034	3.5329	2.3044	3.0697	2.5090	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.936	C1	C2	H7	108.990
C1	C2	H8	108.990	C1	O4	H6	103.942
C2	C1	O4	107.936	C2	C1	H9	108.990
C2	C1	H10	108.990	C2	O3	H5	103.942
O3	C2	H7	111.692	O3	C2	H8	111.692
O4	C1	H9	111.692	O4	C1	H10	111.692
H7	C2	H8	107.489	H9	C1	H10	107.489

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

using model chemistry: HF/STO-3G

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	0.003
2	C	0.003
3	O	-0.288
4	O	-0.288
5	H	0.175
6	H	0.175
7	H	0.055
8	H	0.055
9	H	0.055
10	H	0.055

	x	y	z
x	2.071	0.163	0.000
y	0.163	3.433	0.000
z	0.000	0.000	1.641

<r²>	96.991
(<r²>)^1/2	9.848

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

using model chemistry: HF/STO-3G

States and conformations

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