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	hartrees
Energy at 0K	-228.877979
Energy at 298.15K	-228.885015
Nuclear repulsion energy	127.408153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	3292	0.00
2	A_g	2915	2899	0.00
3	A_g	1552	1543	0.00
4	A_g	1449	1441	0.00
5	A_g	1278	1271	0.00
6	A_g	976	971	0.00
7	A_g	943	937	0.00
8	A_g	445	442	0.00
9	A_u	2964	2948	151.20
10	A_u	1166	1159	0.04
11	A_u	866	861	2.25
12	A_u	268	266	265.58
13	A_u	115	114	10.51
14	B_g	2931	2914	0.00
15	B_g	1307	1299	0.00
16	B_g	1115	1109	0.00
17	B_g	265	263	0.00
18	B_u	3311	3293	6.58
19	B_u	2922	2906	102.32
20	B_u	1566	1558	6.91
21	B_u	1401	1393	2.10
22	B_u	1187	1180	85.83
23	B_u	964	959	143.14
24	B_u	262	261	22.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.768	0.000
C2	0.000	-0.768	0.000
O3	1.426	-1.148	0.000
O4	-1.426	1.148	0.000
H5	1.454	-2.156	0.000
H6	-1.454	2.156	0.000
H7	-0.548	-1.117	0.897
H8	-0.548	-1.117	-0.897
H9	0.548	1.117	0.897
H10	0.548	1.117	-0.897

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5365	2.3886	1.4758	3.2656	2.0097	2.1583	2.1583	1.1074	1.1074
C2	1.5365		1.4758	2.3886	2.0097	3.2656	1.1074	1.1074	2.1583	2.1583
O3	2.3886	1.4758		3.6614	1.0086	4.3827	2.1689	2.1689	2.5889	2.5889
O4	1.4758	2.3886	3.6614		4.3827	1.0086	2.5889	2.5889	2.1689	2.1689
H5	3.2656	2.0097	1.0086	4.3827		5.2005	2.4274	2.4274	3.5120	3.5120
H6	2.0097	3.2656	4.3827	1.0086	5.2005		3.5120	3.5120	2.4274	2.4274
H7	2.1583	1.1074	2.1689	2.5889	2.4274	3.5120		1.7935	2.4882	3.0672
H8	2.1583	1.1074	2.1689	2.5889	2.4274	3.5120	1.7935		3.0672	2.4882
H9	1.1074	2.1583	2.5889	2.1689	3.5120	2.4274	2.4882	3.0672		1.7935
H10	1.1074	2.1583	2.5889	2.1689	3.5120	2.4274	3.0672	2.4882	1.7935

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	104.902	C1	C2	H7	108.339
C1	C2	H8	108.339	C1	O4	H6	106.461
C2	C1	O4	104.902	C2	C1	H9	108.339
C2	C1	H10	108.339	C2	O3	H5	106.461
O3	C2	H7	113.431	O3	C2	H8	113.431
O4	C1	H9	113.431	O4	C1	H10	113.431
H7	C2	H8	108.150	H9	C1	H10	108.150

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.150
2	C	-0.150
3	O	-0.510
4	O	-0.510
5	H	0.321
6	H	0.321
7	H	0.170
8	H	0.170
9	H	0.170
10	H	0.170

<r²>	98.054
(<r²>)^1/2	9.902

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

using model chemistry: BLYP/3-21G

States and conformations

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