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	hartrees
Energy at 0K	-230.272199
Energy at 298.15K	-230.279238
Nuclear repulsion energy	129.871984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3851	3714	0.00
2	A_g	3009	2901	0.00
3	A_g	1527	1472	0.00
4	A_g	1477	1424	0.00
5	A_g	1275	1229	0.00
6	A_g	1076	1038	0.00
7	A_g	981	946	0.00
8	A_g	477	460	0.00
9	A_u	3067	2957	92.65
10	A_u	1226	1182	1.37
11	A_u	834	804	1.92
12	A_u	237	229	265.96
13	A_u	114	110	38.76
14	B_g	3040	2931	0.00
15	B_g	1303	1256	0.00
16	B_g	1159	1117	0.00
17	B_g	221	213	0.00
18	B_u	3852	3714	73.86
19	B_u	3014	2906	111.77
20	B_u	1535	1480	6.25
21	B_u	1398	1348	5.45
22	B_u	1176	1134	92.61
23	B_u	1062	1024	237.22
24	B_u	295	284	23.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.760	0.000
C2	0.000	-0.760	0.000
O3	1.366	-1.176	0.000
O4	-1.366	1.176	0.000
H5	1.404	-2.140	0.000
H6	-1.404	2.140	0.000
H7	-0.530	-1.124	0.891
H8	-0.530	-1.124	-0.891
H9	0.530	1.124	0.891
H10	0.530	1.124	-0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5204	2.3700	1.4284	3.2222	1.9686	2.1506	2.1506	1.0988	1.0988
C2	1.5204		1.4284	2.3700	1.9686	3.2222	1.0988	1.0988	2.1506	2.1506
O3	2.3700	1.4284		3.6059	0.9645	4.3212	2.0962	2.0962	2.6046	2.6046
O4	1.4284	2.3700	3.6059		4.3212	0.9645	2.6046	2.6046	2.0962	2.0962
H5	3.2222	1.9686	0.9645	4.3212		5.1189	2.3596	2.3596	3.4944	3.4944
H6	1.9686	3.2222	4.3212	0.9645	5.1189		3.4944	3.4944	2.3596	2.3596
H7	2.1506	1.0988	2.0962	2.6046	2.3596	3.4944		1.7823	2.4854	3.0584
H8	2.1506	1.0988	2.0962	2.6046	2.3596	3.4944	1.7823		3.0584	2.4854
H9	1.0988	2.1506	2.6046	2.0962	3.4944	2.3596	2.4854	3.0584		1.7823
H10	1.0988	2.1506	2.6046	2.0962	3.4944	2.3596	3.0584	2.4854	1.7823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.928	C1	C2	H7	109.331
C1	C2	H8	109.331	C1	O4	H6	109.171
C2	C1	O4	106.928	C2	C1	H9	109.331
C2	C1	H10	109.331	C2	O3	H5	109.171
O3	C2	H7	111.415	O3	C2	H8	111.415
O4	C1	H9	111.415	O4	C1	H10	111.415
H7	C2	H8	108.385	H9	C1	H10	108.385

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	C	-0.074	0.288
2	C	-0.074	0.267
3	O	-0.549	-0.733
4	O	-0.549	-0.737
5	H	0.349	0.434
6	H	0.349	0.434
7	H	0.137	0.014
8	H	0.137	0.014
9	H	0.137	0.009
10	H	0.137	0.009

	x	y	z
x	5.331	-0.383	0.000
y	-0.383	5.344	0.000
z	0.000	0.000	4.499

<r²>	96.479
(<r²>)^1/2	9.822

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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