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	hartrees
Energy at 0K	-229.998443
Energy at 298.15K	-230.005397
Nuclear repulsion energy	129.347746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3741	3699	0.00
2	A_g	2934	2900	0.00
3	A_g	1474	1457	0.00
4	A_g	1427	1411	0.00
5	A_g	1245	1230	0.00
6	A_g	1050	1038	0.00
7	A_g	963	952	0.00
8	A_g	466	461	0.00
9	A_u	2993	2959	89.96
10	A_u	1182	1168	0.40
11	A_u	809	800	1.56
12	A_u	237	235	249.15
13	A_u	105	104	39.20
14	B_g	2966	2932	0.00
15	B_g	1260	1245	0.00
16	B_g	1119	1106	0.00
17	B_g	218	216	0.00
18	B_u	3742	3699	58.90
19	B_u	2939	2906	117.08
20	B_u	1482	1466	6.19
21	B_u	1350	1335	3.47
22	B_u	1151	1137	68.45
23	B_u	1036	1024	234.53
24	B_u	285	282	21.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.440	0.622	0.000
C2	-0.440	-0.622	0.000
O3	0.440	-1.754	0.000
O4	-0.440	1.754	0.000
H5	-0.102	-2.562	0.000
H6	0.102	2.562	0.000
H7	-1.089	-0.607	0.898
H8	-1.089	-0.607	-0.898
H9	1.089	0.607	0.898
H10	1.089	0.607	-0.898

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5239	2.3760	1.4337	3.2296	1.9687	2.1578	2.1578	1.1081	1.1081
C2	1.5239		1.4337	2.3760	1.9687	3.2296	1.1081	1.1081	2.1578	2.1578
O3	2.3760	1.4337		3.6166	0.9729	4.3287	2.1117	2.1117	2.6083	2.6083
O4	1.4337	2.3760	3.6166		4.3287	0.9729	2.6083	2.6083	2.1117	2.1117
H5	3.2296	1.9687	0.9729	4.3287		5.1273	2.3662	2.3662	3.5026	3.5026
H6	1.9687	3.2296	4.3287	0.9729	5.1273		3.5026	3.5026	2.3662	2.3662
H7	2.1578	1.1081	2.1117	2.6083	2.3662	3.5026		1.7960	2.4939	3.0733
H8	2.1578	1.1081	2.1117	2.6083	2.3662	3.5026	1.7960		3.0733	2.4939
H9	1.1081	2.1578	2.6083	2.1117	3.5026	2.3662	2.4939	3.0733		1.7960
H10	1.1081	2.1578	2.6083	2.1117	3.5026	2.3662	3.0733	2.4939	1.7960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.863	C1	C2	H7	109.109
C1	C2	H8	109.109	C1	O4	H6	108.250
C2	C1	O4	106.863	C2	C1	H9	109.109
C2	C1	H10	109.109	C2	O3	H5	108.250
O3	C2	H7	111.717	O3	C2	H8	111.717
O4	C1	H9	111.717	O4	C1	H10	111.717
H7	C2	H8	108.270	H9	C1	H10	108.270

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

using model chemistry: PBEPBE/6-31+G**

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	-0.162
2	C	-0.162
3	O	-0.507
4	O	-0.507
5	H	0.347
6	H	0.347
7	H	0.160
8	H	0.160
9	H	0.160
10	H	0.160

	x	y	z
x	5.238	-0.127	0.000
y	-0.127	5.957	0.000
z	0.000	0.000	4.717

<r²>	97.009
(<r²>)^1/2	9.849

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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