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	hartrees
Energy at 0K	-228.100648
Energy at 298.15K	-228.107827
HF Energy	-227.648965
Nuclear repulsion energy	127.917065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3491	3383	0.00
2	A_g	3013	2921	0.00
3	A_g	1607	1558	0.00
4	A_g	1507	1460	0.00
5	A_g	1320	1279	0.00
6	A_g	1030	999	0.00
7	A_g	980	950	0.00
8	A_g	460	446	0.00
9	A_u	3064	2969	111.52
10	A_u	1227	1189	1.89
11	A_u	884	856	3.93
12	A_u	279	270	313.09
13	A_u	133	129	9.39
14	B_g	3036	2943	0.00
15	B_g	1353	1312	0.00
16	B_g	1166	1130	0.00
17	B_g	276	268	0.00
18	B_u	3492	3385	1.05
19	B_u	3019	2926	66.94
20	B_u	1620	1570	5.27
21	B_u	1452	1407	5.25
22	B_u	1224	1187	113.44
23	B_u	1017	985	122.98
24	B_u	270	262	28.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.766	0.000
C2	0.000	-0.766	0.000
O3	1.423	-1.143	0.000
O4	-1.423	1.143	0.000
H5	1.475	-2.134	0.000
H6	-1.475	2.134	0.000
H7	-0.536	-1.121	0.894
H8	-0.536	-1.121	-0.894
H9	0.536	1.121	0.894
H10	0.536	1.121	-0.894

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5317	2.3809	1.4720	3.2535	2.0119	2.1550	2.1550	1.1007	1.1007
C2	1.5317		1.4720	2.3809	2.0119	3.2535	1.1007	1.1007	2.1550	2.1550
O3	2.3809	1.4720		3.6503	0.9924	4.3747	2.1531	2.1531	2.5902	2.5902
O4	1.4720	2.3809	3.6503		4.3747	0.9924	2.5902	2.5902	2.1531	2.1531
H5	3.2535	2.0119	0.9924	4.3747		5.1885	2.4227	2.4227	3.5033	3.5033
H6	2.0119	3.2535	4.3747	0.9924	5.1885		3.5033	3.5033	2.4227	2.4227
H7	2.1550	1.1007	2.1531	2.5902	2.4227	3.5033		1.7871	2.4842	3.0602
H8	2.1550	1.1007	2.1531	2.5902	2.4227	3.5033	1.7871		3.0602	2.4842
H9	1.1007	2.1550	2.5902	2.1531	3.5033	2.4227	2.4842	3.0602		1.7871
H10	1.1007	2.1550	2.5902	2.1531	3.5033	2.4227	3.0602	2.4842	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	104.853	C1	C2	H7	108.800
C1	C2	H8	108.800	C1	O4	H6	107.857
C2	C1	O4	104.853	C2	C1	H9	108.800
C2	C1	H10	108.800	C2	O3	H5	107.857
O3	C2	H7	112.834	O3	C2	H8	112.834
O4	C1	H9	112.834	O4	C1	H10	112.834
H7	C2	H8	108.547	H9	C1	H10	108.547

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

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

using model chemistry: QCISD/3-21G

States and conformations

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