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	hartrees
Energy at 0K	-228.974442
Energy at 298.15K	-228.981835
Nuclear repulsion energy	131.246800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4190	3815	0.00
2	A_g	3170	2887	0.00
3	A_g	1634	1488	0.00
4	A_g	1607	1463	0.00
5	A_g	1393	1268	0.00
6	A_g	1186	1080	0.00
7	A_g	1062	967	0.00
8	A_g	514	468	0.00
9	A_u	3227	2938	112.95
10	A_u	1330	1211	4.05
11	A_u	888	809	2.49
12	A_u	274	250	251.23
13	A_u	144	131	29.04
14	B_g	3198	2912	0.00
15	B_g	1407	1281	0.00
16	B_g	1252	1140	0.00
17	B_g	272	247	0.00
18	B_u	4190	3815	133.70
19	B_u	3172	2888	121.33
20	B_u	1636	1490	6.46
21	B_u	1516	1380	20.10
22	B_u	1282	1168	167.67
23	B_u	1170	1066	208.62
24	B_u	321	292	22.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.757	0.000
C2	0.000	-0.757	0.000
O3	1.344	-1.176	0.000
O4	-1.344	1.176	0.000
H5	1.391	-2.116	0.000
H6	-1.391	2.116	0.000
H7	-0.526	-1.119	0.885
H8	-0.526	-1.119	-0.885
H9	0.526	1.119	0.885
H10	0.526	1.119	-0.885

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5131	2.3536	1.4077	3.1916	1.9450	2.1397	2.1397	1.0919	1.0919
C2	1.5131		1.4077	2.3536	1.9450	3.1916	1.0919	1.0919	2.1397	2.1397
O3	2.3536	1.4077		3.5711	0.9416	4.2795	2.0701	2.0701	2.5917	2.5917
O4	1.4077	2.3536	3.5711		4.2795	0.9416	2.5917	2.5917	2.0701	2.0701
H5	3.1916	1.9450	0.9416	4.2795		5.0645	2.3355	2.3355	3.4635	3.4635
H6	1.9450	3.1916	4.2795	0.9416	5.0645		3.4635	3.4635	2.3355	2.3355
H7	2.1397	1.0919	2.0701	2.5917	2.3355	3.4635		1.7708	2.4731	3.0417
H8	2.1397	1.0919	2.0701	2.5917	2.3355	3.4635	1.7708		3.0417	2.4731
H9	1.0919	2.1397	2.5917	2.0701	3.4635	2.3355	2.4731	3.0417		1.7708
H10	1.0919	2.1397	2.5917	2.0701	3.4635	2.3355	3.0417	2.4731	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.316	C1	C2	H7	109.381
C1	C2	H8	109.381	C1	O4	H6	110.182
C2	C1	O4	107.316	C2	C1	H9	109.381
C2	C1	H10	109.381	C2	O3	H5	110.182
O3	C2	H7	111.189	O3	C2	H8	111.189
O4	C1	H9	111.189	O4	C1	H10	111.189
H7	C2	H8	108.359	H9	C1	H10	108.359

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

using model chemistry: HF/aug-cc-pVDZ

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	0.777
2	C	0.777
3	O	-0.642
4	O	-0.642
5	H	0.101
6	H	0.101
7	H	-0.118
8	H	-0.118
9	H	-0.118
10	H	-0.118

	x	y	z
x	5.266	-0.416	0.000
y	-0.416	5.449	0.000
z	0.000	0.000	4.498

<r²>	94.815
(<r²>)^1/2	9.737

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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