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	hartrees
Energy at 0K	-228.877979
Energy at 298.15K	-228.885019
Nuclear repulsion energy	127.408153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	3288	0.00
2	A_g	2915	2896	0.00
3	A_g	1551	1541	0.00
4	A_g	1449	1439	0.00
5	A_g	1278	1270	0.00
6	A_g	976	970	0.00
7	A_g	943	937	0.00
8	A_g	445	442	0.00
9	A_u	2964	2945	151.39
10	A_u	1166	1158	0.04
11	A_u	866	861	2.28
12	A_u	274	272	265.60
13	A_u	115	114	10.55
14	B_g	2930	2911	0.00
15	B_g	1306	1298	0.00
16	B_g	1115	1108	0.00
17	B_g	270	269	0.00
18	B_u	3311	3290	6.58
19	B_u	2922	2903	102.36
20	B_u	1566	1556	6.89
21	B_u	1401	1392	2.11
22	B_u	1187	1179	85.90
23	B_u	964	958	143.08
24	B_u	262	260	22.50

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)