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	hartrees
Energy at 0K	-229.716208
Energy at 298.15K	-229.723366
HF Energy	-228.977176
Nuclear repulsion energy	130.758787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3874	3669	0.00
2	A_g	3060	2899	0.00
3	A_g	1569	1486	0.00
4	A_g	1534	1453	0.00
5	A_g	1324	1254	0.00
6	A_g	1125	1066	0.00
7	A_g	1029	974	0.00
8	A_g	492	466	0.00
9	A_u	3129	2964	101.53
10	A_u	1258	1191	2.20
11	A_u	857	812	3.75
12	A_u	245	232	284.99
13	A_u	131	124	43.99
14	B_g	3103	2939	0.00
15	B_g	1338	1268	0.00
16	B_g	1188	1125	0.00
17	B_g	227	215	0.00
18	B_u	3875	3670	50.33
19	B_u	3065	2903	103.48
20	B_u	1578	1494	5.10
21	B_u	1445	1369	7.38
22	B_u	1220	1156	132.86
23	B_u	1112	1053	189.44
24	B_u	301	285	25.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.755	0.000
C2	0.000	-0.755	0.000
O3	1.359	-1.163	0.000
O4	-1.359	1.163	0.000
H5	1.386	-2.121	0.000
H6	-1.386	2.121	0.000
H7	-0.533	-1.110	0.890
H8	-0.533	-1.110	-0.890
H9	0.533	1.110	0.890
H10	0.533	1.110	-0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5093	2.3501	1.4191	3.1921	1.9461	2.1338	2.1338	1.0966	1.0966
C2	1.5093		1.4191	2.3501	1.9461	3.1921	1.0966	1.0966	2.1338	2.1338
O3	2.3501	1.4191		3.5770	0.9588	4.2797	2.0921	2.0921	2.5763	2.5763
O4	1.4191	2.3501	3.5770		4.2797	0.9588	2.5763	2.5763	2.0921	2.0921
H5	3.1921	1.9461	0.9588	4.2797		5.0672	2.3447	2.3447	3.4578	3.4578
H6	1.9461	3.1921	4.2797	0.9588	5.0672		3.4578	3.4578	2.3447	2.3447
H7	2.1338	1.0966	2.0921	2.5763	2.3447	3.4578		1.7797	2.4629	3.0386
H8	2.1338	1.0966	2.0921	2.5763	2.3447	3.4578	1.7797		3.0386	2.4629
H9	1.0966	2.1338	2.5763	2.0921	3.4578	2.3447	2.4629	3.0386		1.7797
H10	1.0966	2.1338	2.5763	2.0921	3.4578	2.3447	3.0386	2.4629	1.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.703	C1	C2	H7	108.900
C1	C2	H8	108.900	C1	O4	H6	108.293
C2	C1	O4	106.703	C2	C1	H9	108.900
C2	C1	H10	108.900	C2	O3	H5	108.293
O3	C2	H7	111.892	O3	C2	H8	111.892
O4	C1	H9	111.892	O4	C1	H10	111.892
H7	C2	H8	108.472	H9	C1	H10	108.472

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H6O2 (1,2-Ethanediol)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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