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	hartrees
Energy at 0K	-228.999279
Energy at 298.15K	-229.006686
Nuclear repulsion energy	131.666548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4194	3811	0.00
2	A_g	3158	2869	0.00
3	A_g	1655	1504	0.00
4	A_g	1631	1482	0.00
5	A_g	1401	1273	0.00
6	A_g	1197	1088	0.00
7	A_g	1063	966	0.00
8	A_g	517	470	0.00
9	A_u	3210	2916	147.67
10	A_u	1346	1222	6.03
11	A_u	903	820	4.99
12	A_u	274	249	286.76
13	A_u	151	138	20.95
14	B_g	3179	2888	0.00
15	B_g	1420	1290	0.00
16	B_g	1266	1150	0.00
17	B_g	267	242	0.00
18	B_u	4194	3810	124.07
19	B_u	3160	2871	127.84
20	B_u	1662	1510	6.75
21	B_u	1538	1397	11.64
22	B_u	1289	1171	204.01
23	B_u	1188	1080	196.17
24	B_u	320	291	23.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.431	0.621	0.000
C2	-0.431	-0.621	0.000
O3	0.431	-1.727	0.000
O4	-0.431	1.727	0.000
H5	-0.072	-2.521	0.000
H6	0.072	2.521	0.000
H7	-1.068	-0.613	0.881
H8	-1.068	-0.613	-0.881
H9	1.068	0.613	0.881
H10	1.068	0.613	-0.881

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5112	2.3482	1.4022	3.1816	1.9335	2.1319	2.1319	1.0876	1.0876
C2	1.5112		1.4022	2.3482	1.9335	3.1816	1.0876	1.0876	2.1319	2.1319
O3	2.3482	1.4022		3.5604	0.9393	4.2632	2.0652	2.0652	2.5805	2.5805
O4	1.4022	2.3482	3.5604		4.2632	0.9393	2.5805	2.5805	2.0652	2.0652
H5	3.1816	1.9335	0.9393	4.2632		5.0436	2.3257	2.3257	3.4491	3.4491
H6	1.9335	3.1816	4.2632	0.9393	5.0436		3.4491	3.4491	2.3257	2.3257
H7	2.1319	1.0876	2.0652	2.5805	2.3257	3.4491		1.7622	2.4630	3.0285
H8	2.1319	1.0876	2.0652	2.5805	2.3257	3.4491	1.7622		3.0285	2.4630
H9	1.0876	2.1319	2.5805	2.0652	3.4491	2.3257	2.4630	3.0285		1.7622
H10	1.0876	2.1319	2.5805	2.0652	3.4491	2.3257	3.0285	2.4630	1.7622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.353	C1	C2	H7	109.150
C1	C2	H8	109.150	C1	O4	H6	109.741
C2	C1	O4	107.353	C2	C1	H9	109.150
C2	C1	H10	109.150	C2	O3	H5	109.741
O3	C2	H7	111.464	O3	C2	H8	111.464
O4	C1	H9	111.464	O4	C1	H10	111.464
H7	C2	H8	108.218	H9	C1	H10	108.218

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

using model chemistry: HF/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	0.084
2	C	0.084
3	O	-0.486
4	O	-0.486
5	H	0.252
6	H	0.252
7	H	0.075
8	H	0.075
9	H	0.075
10	H	0.075

	x	y	z
x	4.168	0.098	0.000
y	0.098	4.932	0.000
z	0.000	0.000	3.737

<r²>	94.018
(<r²>)^1/2	9.696

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

using model chemistry: HF/6-311G**

States and conformations

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