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	hartrees
Energy at 0K	-230.135013
Energy at 298.15K	-230.141976
HF Energy	-230.135013
Nuclear repulsion energy	129.396988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3775	3710	0.00
2	A_g	2944	2894	0.00
3	A_g	1496	1470	0.00
4	A_g	1445	1421	0.00
5	A_g	1257	1236	0.00
6	A_g	1040	1022	0.00
7	A_g	960	944	0.00
8	A_g	467	459	0.00
9	A_u	3004	2952	109.41
10	A_u	1200	1180	0.72
11	A_u	819	804	1.83
12	A_u	231	227	250.03
13	A_u	109	107	39.47
14	B_g	2976	2925	0.00
15	B_g	1278	1256	0.00
16	B_g	1134	1114	0.00
17	B_g	213	210	0.00
18	B_u	3776	3711	54.85
19	B_u	2950	2899	132.17
20	B_u	1504	1479	6.35
21	B_u	1371	1348	4.72
22	B_u	1164	1144	80.61
23	B_u	1025	1007	236.23
24	B_u	291	286	21.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.440	0.623	0.000
C2	-0.440	-0.623	0.000
O3	0.440	-1.755	0.000
O4	-0.440	1.755	0.000
H5	-0.098	-2.559	0.000
H6	0.098	2.559	0.000
H7	-1.086	-0.612	0.895
H8	-1.086	-0.612	-0.895
H9	1.086	0.612	0.895
H10	1.086	0.612	-0.895

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5256	2.3783	1.4346	3.2276	1.9667	2.1579	2.1579	1.1037	1.1037
C2	1.5256		1.4346	2.3783	1.9667	3.2276	1.1037	1.1037	2.1579	2.1579
O3	2.3783	1.4346		3.6195	0.9676	4.3284	2.1066	2.1066	2.6122	2.6122
O4	1.4346	2.3783	3.6195		4.3284	0.9676	2.6122	2.6122	2.1066	2.1066
H5	3.2276	1.9667	0.9676	4.3284		5.1227	2.3600	2.3600	3.5018	3.5018
H6	1.9667	3.2276	4.3284	0.9676	5.1227		3.5018	3.5018	2.3600	2.3600
H7	2.1579	1.1037	2.1066	2.6122	2.3600	3.5018		1.7898	2.4938	3.0696
H8	2.1579	1.1037	2.1066	2.6122	2.3600	3.5018	1.7898		3.0696	2.4938
H9	1.1037	2.1579	2.6122	2.1066	3.5018	2.3600	2.4938	3.0696		1.7898
H10	1.1037	2.1579	2.6122	2.1066	3.5018	2.3600	3.0696	2.4938	1.7898

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.377	C1	C2	H7	109.221
C1	C2	H8	109.221	C1	O4	H6	108.770
C2	C1	O4	107.377	C2	C1	H9	109.221
C2	C1	H10	109.221	C2	O3	H5	108.770
O3	C2	H7	111.415	O3	C2	H8	111.415
O4	C1	H9	111.415	O4	C1	H10	111.415
H7	C2	H8	108.156	H9	C1	H10	108.156

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

using model chemistry: B97D3/6-31+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	-0.112
2	C	-0.112
3	O	-0.525
4	O	-0.525
5	H	0.347
6	H	0.347
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.145

	x	y	z
x	5.153	-0.130	0.000
y	-0.130	5.877	0.000
z	0.000	0.000	4.641

<r²>	96.972
(<r²>)^1/2	9.847

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

using model chemistry: B97D3/6-31+G**

States and conformations

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