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	hartrees
Energy at 0K	-230.099527
Energy at 298.15K	-230.106597
HF Energy	-230.099527
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3687	3615	0.00
2	A_g	2932	2874	0.00
3	A_g	1524	1495	0.00
4	A_g	1478	1449	0.00
5	A_g	1290	1265	0.00
6	A_g	1060	1039	0.00
7	A_g	973	954	0.00
8	A_g	471	462	0.00
9	A_u	2984	2926	157.30
10	A_u	1210	1186	1.29
11	A_u	828	812	3.03
12	A_u	251	246	245.48
13	A_u	127	124	23.83
14	B_g	2955	2897	0.00
15	B_g	1291	1265	0.00
16	B_g	1150	1127	0.00
17	B_g	241	237	0.00
18	B_u	3688	3616	24.32
19	B_u	2937	2880	138.58
20	B_u	1535	1505	7.98
21	B_u	1406	1378	11.17
22	B_u	1192	1169	94.26
23	B_u	1046	1025	212.94
24	B_u	292	286	19.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.439	0.624	0.000
C2	-0.439	-0.624	0.000
O3	0.439	-1.752	0.000
O4	-0.439	1.752	0.000
H5	-0.120	-2.547	0.000
H6	0.120	2.547	0.000
H7	-1.090	-0.604	0.893
H8	-1.090	-0.604	-0.893
H9	1.090	0.604	0.893
H10	1.090	0.604	-0.893

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5250	2.3759	1.4293	3.2198	1.9496	2.1546	2.1546	1.1060	1.1060
C2	1.5250		1.4293	2.3759	1.9496	3.2198	1.1060	1.1060	2.1546	2.1546
O3	2.3759	1.4293		3.6125	0.9718	4.3111	2.1105	2.1105	2.6026	2.6026
O4	1.4293	2.3759	3.6125		4.3111	0.9718	2.6026	2.6026	2.1105	2.1105
H5	3.2198	1.9496	0.9718	4.3111		5.1000	2.3485	2.3485	3.4917	3.4917
H6	1.9496	3.2198	4.3111	0.9718	5.1000		3.4917	3.4917	2.3485	2.3485
H7	2.1546	1.1060	2.1105	2.6026	2.3485	3.4917		1.7869	2.4924	3.0668
H8	2.1546	1.1060	2.1105	2.6026	2.3485	3.4917	1.7869		3.0668	2.4924
H9	1.1060	2.1546	2.6026	2.1105	3.4917	2.3485	2.4924	3.0668		1.7869
H10	1.1060	2.1546	2.6026	2.1105	3.4917	2.3485	3.0668	2.4924	1.7869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.198	C1	C2	H7	108.965
C1	C2	H8	108.965	C1	O4	H6	107.244
C2	C1	O4	107.198	C2	C1	H9	108.965
C2	C1	H10	108.965	C2	O3	H5	107.244
O3	C2	H7	111.937	O3	C2	H8	111.937
O4	C1	H9	111.937	O4	C1	H10	111.937
H7	C2	H8	107.776	H9	C1	H10	107.776

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

using model chemistry: B97D3/6-31G*

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	-0.056
2	C	-0.056
3	O	-0.607
4	O	-0.607
5	H	0.392
6	H	0.392
7	H	0.136
8	H	0.136
9	H	0.136
10	H	0.136

	x	y	z
x	4.354	0.073	0.000
y	0.073	5.324	0.000
z	0.000	0.000	3.793

<r²>	95.991
(<r²>)^1/2	9.797

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

using model chemistry: B97D3/6-31G*

States and conformations

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