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	hartrees
Energy at 0K	-228.961491
Energy at 298.15K	-228.968640
Nuclear repulsion energy	128.661480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3489	3366	0.00
2	A_g	3013	2907	0.00
3	A_g	1591	1535	0.00
4	A_g	1493	1441	0.00
5	A_g	1308	1262	0.00
6	A_g	1030	994	0.00
7	A_g	983	948	0.00
8	A_g	463	447	0.00
9	A_u	3066	2958	130.15
10	A_u	1212	1169	0.57
11	A_u	887	856	2.43
12	A_u	272	263	301.20
13	A_u	127	123	10.39
14	B_g	3034	2927	0.00
15	B_g	1347	1300	0.00
16	B_g	1152	1112	0.00
17	B_g	268	259	0.00
18	B_u	3490	3367	0.85
19	B_u	3020	2914	87.49
20	B_u	1605	1549	6.10
21	B_u	1441	1390	3.12
22	B_u	1216	1173	94.19
23	B_u	1020	984	161.06
24	B_u	271	262	25.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.762	0.000
C2	0.000	-0.762	0.000
O3	1.408	-1.142	0.000
O4	-1.408	1.142	0.000
H5	1.455	-2.135	0.000
H6	-1.455	2.135	0.000
H7	-0.542	-1.109	0.890
H8	-0.542	-1.109	-0.890
H9	0.542	1.109	0.890
H10	0.542	1.109	-0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5233	2.3678	1.4586	3.2412	2.0006	2.1417	2.1417	1.0986	1.0986
C2	1.5233		1.4586	2.3678	2.0006	3.2412	1.0986	1.0986	2.1417	2.1417
O3	2.3678	1.4586		3.6259	0.9938	4.3513	2.1438	2.1438	2.5712	2.5712
O4	1.4586	2.3678	3.6259		4.3513	0.9938	2.5712	2.5712	2.1438	2.1438
H5	3.2412	2.0006	0.9938	4.3513		5.1667	2.4148	2.4148	3.4857	3.4857
H6	2.0006	3.2412	4.3513	0.9938	5.1667		3.4857	3.4857	2.4148	2.4148
H7	2.1417	1.0986	2.1438	2.5712	2.4148	3.4857		1.7802	2.4693	3.0441
H8	2.1417	1.0986	2.1438	2.5712	2.4148	3.4857	1.7802		3.0441	2.4693
H9	1.0986	2.1417	2.5712	2.1438	3.4857	2.4148	2.4693	3.0441		1.7802
H10	1.0986	2.1417	2.5712	2.1438	3.4857	2.4148	3.0441	2.4693	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.111	C1	C2	H7	108.456
C1	C2	H8	108.456	C1	O4	H6	107.818
C2	C1	O4	105.111	C2	C1	H9	108.456
C2	C1	H10	108.456	C2	O3	H5	107.818
O3	C2	H7	113.183	O3	C2	H8	113.183
O4	C1	H9	113.183	O4	C1	H10	113.183
H7	C2	H8	108.238	H9	C1	H10	108.238

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

using model chemistry: B3LYP/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	ESP
1	C	-0.150	0.181
2	C	-0.150	0.181
3	O	-0.558	-0.629
4	O	-0.558	-0.629
5	H	0.339	0.399
6	H	0.339	0.399
7	H	0.184	0.025
8	H	0.184	0.025
9	H	0.184	0.025
10	H	0.184	0.025

	x	y	z
x	4.248	-0.590	0.000
y	-0.590	4.761	0.000
z	0.000	0.000	3.220

<r²>	96.509
(<r²>)^1/2	9.824

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

using model chemistry: B3LYP/3-21G

States and conformations

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