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	hartrees
Energy at 0K	-228.950075
Energy at 298.15K	-228.957484
Nuclear repulsion energy	131.535062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4163	3780	0.00
2	A_g	3165	2874	0.00
3	A_g	1638	1488	0.00
4	A_g	1621	1472	0.00
5	A_g	1401	1273	0.00
6	A_g	1203	1092	0.00
7	A_g	1066	968	0.00
8	A_g	517	470	0.00
9	A_u	3220	2924	154.97
10	A_u	1329	1206	5.06
11	A_u	896	814	4.28
12	A_u	278	252	269.87
13	A_u	150	136	19.51
14	B_g	3190	2896	0.00
15	B_g	1408	1278	0.00
16	B_g	1256	1141	0.00
17	B_g	275	250	0.00
18	B_u	4163	3780	135.89
19	B_u	3164	2873	128.82
20	B_u	1642	1491	7.19
21	B_u	1527	1386	18.91
22	B_u	1287	1168	207.35
23	B_u	1194	1084	185.88
24	B_u	316	287	21.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.755	0.000
C2	0.000	-0.755	0.000
O3	1.337	-1.174	0.000
O4	-1.337	1.174	0.000
H5	1.372	-2.118	0.000
H6	-1.372	2.118	0.000
H7	-0.536	-1.113	0.885
H8	-0.536	-1.113	-0.885
H9	0.536	1.113	0.885
H10	0.536	1.113	-0.885

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5107	2.3476	1.4011	3.1840	1.9335	2.1360	2.1360	1.0948	1.0948
C2	1.5107		1.4011	2.3476	1.9335	3.1840	1.0948	1.0948	2.1360	2.1360
O3	2.3476	1.4011		3.5590	0.9444	4.2634	2.0725	2.0725	2.5803	2.5803
O4	1.4011	2.3476	3.5590		4.2634	0.9444	2.5803	2.5803	2.0725	2.0725
H5	3.1840	1.9335	0.9444	4.2634		5.0468	2.3306	2.3306	3.4530	3.4530
H6	1.9335	3.1840	4.2634	0.9444	5.0468		3.4530	3.4530	2.3306	2.3306
H7	2.1360	1.0948	2.0725	2.5803	2.3306	3.4530		1.7695	2.4715	3.0397
H8	2.1360	1.0948	2.0725	2.5803	2.3306	3.4530	1.7695		3.0397	2.4715
H9	1.0948	2.1360	2.5803	2.0725	3.4530	2.3306	2.4715	3.0397		1.7695
H10	1.0948	2.1360	2.5803	2.0725	3.4530	2.3306	3.0397	2.4715	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.400	C1	C2	H7	109.089
C1	C2	H8	109.089	C1	O4	H6	109.501
C2	C1	O4	107.400	C2	C1	H9	109.089
C2	C1	H10	109.089	C2	O3	H5	109.501
O3	C2	H7	111.689	O3	C2	H8	111.689
O4	C1	H9	111.689	O4	C1	H10	111.689
H7	C2	H8	107.838	H9	C1	H10	107.838

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

using model chemistry: HF/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	CHELPG
1	C	0.175	0.351
2	C	0.175	0.351
3	O	-0.370	-0.708
4	O	-0.370	-0.708
5	H	0.156	0.411
6	H	0.156	0.411
7	H	0.019	-0.027
8	H	0.019	-0.027
9	H	0.019	-0.027
10	H	0.019	-0.027

	x	y	z
x	4.222	-0.312	0.000
y	-0.312	4.697	0.000
z	0.000	0.000	3.650

<r²>	94.006
(<r²>)^1/2	9.696

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

using model chemistry: HF/cc-pVDZ

States and conformations

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