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	hartrees
Energy at 0K	-230.243702
Energy at 298.15K	-230.250894
HF Energy	-230.243702
Nuclear repulsion energy	130.778668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3946	3774	0.00
2	A_g	3007	2876	0.00
3	A_g	1530	1464	0.00
4	A_g	1511	1446	0.00
5	A_g	1313	1256	0.00
6	A_g	1121	1072	0.00
7	A_g	1009	965	0.00
8	A_g	490	468	0.00
9	A_u	3065	2932	114.69
10	A_u	1250	1195	1.82
11	A_u	850	813	3.30
12	A_u	253	242	257.47
13	A_u	136	130	22.15
14	B_g	3037	2905	0.00
15	B_g	1322	1265	0.00
16	B_g	1171	1120	0.00
17	B_g	242	232	0.00
18	B_u	3946	3775	78.14
19	B_u	3011	2880	115.92
20	B_u	1536	1469	5.35
21	B_u	1430	1368	5.01
22	B_u	1217	1164	108.07
23	B_u	1110	1062	219.84
24	B_u	298	285	22.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.435	0.619	0.000
C2	-0.435	-0.619	0.000
O3	0.435	-1.740	0.000
O4	-0.435	1.740	0.000
H5	-0.104	-2.530	0.000
H6	0.104	2.530	0.000
H7	-1.077	-0.605	0.890
H8	-1.077	-0.605	-0.890
H9	1.077	0.605	0.890
H10	1.077	0.605	-0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5130	2.3590	1.4183	3.1950	1.9393	2.1386	2.1386	1.0973	1.0973
C2	1.5130		1.4183	2.3590	1.9393	3.1950	1.0973	1.0973	2.1386	2.1386
O3	2.3590	1.4183		3.5866	0.9564	4.2827	2.0891	2.0891	2.5885	2.5885
O4	1.4183	2.3590	3.5866		4.2827	0.9564	2.5885	2.5885	2.0891	2.0891
H5	3.1950	1.9393	0.9564	4.2827		5.0644	2.3334	2.3334	3.4659	3.4659
H6	1.9393	3.1950	4.2827	0.9564	5.0644		3.4659	3.4659	2.3334	2.3334
H7	2.1386	1.0973	2.0891	2.5885	2.3334	3.4659		1.7795	2.4698	3.0440
H8	2.1386	1.0973	2.0891	2.5885	2.3334	3.4659	1.7795		3.0440	2.4698
H9	1.0973	2.1386	2.5885	2.0891	3.4659	2.3334	2.4698	3.0440		1.7795
H10	1.0973	2.1386	2.5885	2.0891	3.4659	2.3334	3.0440	2.4698	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.124	C1	C2	H7	108.989
C1	C2	H8	108.989	C1	O4	H6	107.915
C2	C1	O4	107.124	C2	C1	H9	108.989
C2	C1	H10	108.989	C2	O3	H5	107.915
O3	C2	H7	111.658	O3	C2	H8	111.658
O4	C1	H9	111.658	O4	C1	H10	111.658
H7	C2	H8	108.360	H9	C1	H10	108.360

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

using model chemistry: wB97X-D/6-311G**

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	-0.046
2	C	-0.046
3	O	-0.413
4	O	-0.413
5	H	0.250
6	H	0.250
7	H	0.105
8	H	0.105
9	H	0.105
10	H	0.105

	x	y	z
x	4.509	0.128	0.000
y	0.128	5.305	0.000
z	0.000	0.000	3.978

<r²>	94.738
(<r²>)^1/2	9.733

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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