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	hartrees
Energy at 0K	-230.252209
Energy at 298.15K	-230.259317
Nuclear repulsion energy	130.150565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3839	3689	0.00
2	A_g	2993	2876	0.00
3	A_g	1542	1481	0.00
4	A_g	1498	1439	0.00
5	A_g	1296	1245	0.00
6	A_g	1095	1053	0.00
7	A_g	991	952	0.00
8	A_g	480	462	0.00
9	A_u	3047	2927	129.66
10	A_u	1231	1183	2.01
11	A_u	841	808	2.91
12	A_u	245	235	247.44
13	A_u	128	123	24.54
14	B_g	3019	2901	0.00
15	B_g	1309	1258	0.00
16	B_g	1171	1126	0.00
17	B_g	236	227	0.00
18	B_u	3840	3690	39.41
19	B_u	2999	2881	114.75
20	B_u	1552	1492	7.04
21	B_u	1421	1365	11.56
22	B_u	1196	1150	98.43
23	B_u	1084	1041	222.60
24	B_u	293	282	20.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.760	0.000
C2	0.000	-0.760	0.000
O3	1.359	-1.179	0.000
O4	-1.359	1.179	0.000
H5	1.373	-2.143	0.000
H6	-1.373	2.143	0.000
H7	-0.543	-1.116	0.888
H8	-0.543	-1.116	-0.888
H9	0.543	1.116	0.888
H10	0.543	1.116	-0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5201	2.3675	1.4220	3.2114	1.9489	2.1457	2.1457	1.1005	1.1005
C2	1.5201		1.4220	2.3675	1.9489	3.2114	1.1005	1.1005	2.1457	2.1457
O3	2.3675	1.4220		3.5977	0.9645	4.3008	2.1003	2.1003	2.5923	2.5923
O4	1.4220	2.3675	3.5977		4.3008	0.9645	2.5923	2.5923	2.1003	2.1003
H5	3.2114	1.9489	0.9645	4.3008		5.0903	2.3487	2.3487	3.4784	3.4784
H6	1.9489	3.2114	4.3008	0.9645	5.0903		3.4784	3.4784	2.3487	2.3487
H7	2.1457	1.1005	2.1003	2.5923	2.3487	3.4784		1.7768	2.4824	3.0527
H8	2.1457	1.1005	2.1003	2.5923	2.3487	3.4784	1.7768		3.0527	2.4824
H9	1.1005	2.1457	2.5923	2.1003	3.4784	2.3487	2.4824	3.0527		1.7768
H10	1.1005	2.1457	2.5923	2.1003	3.4784	2.3487	3.0527	2.4824	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.117	C1	C2	H7	108.875
C1	C2	H8	108.875	C1	O4	H6	107.964
C2	C1	O4	107.117	C2	C1	H9	108.875
C2	C1	H10	108.875	C2	O3	H5	107.964
O3	C2	H7	112.117	O3	C2	H8	112.117
O4	C1	H9	112.117	O4	C1	H10	112.117
H7	C2	H8	107.666	H9	C1	H10	107.666

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

using model chemistry: B3LYP/6-31G**

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	0.048
2	C	0.048
3	O	-0.545
4	O	-0.545
5	H	0.310
6	H	0.310
7	H	0.093
8	H	0.093
9	H	0.093
10	H	0.093

	x	y	z
x	4.514	-0.441	0.000
y	-0.441	5.005	0.000
z	0.000	0.000	3.758

<r²>	95.408
(<r²>)^1/2	9.768

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

using model chemistry: B3LYP/6-31G**

States and conformations

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