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	hartrees
Energy at 0K	-230.343811
Energy at 298.15K	-230.350852
HF Energy	-230.343811
Nuclear repulsion energy	130.104960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3837	3705	0.00
2	A_g	2998	2895	0.00
3	A_g	1524	1471	0.00
4	A_g	1486	1435	0.00
5	A_g	1285	1241	0.00
6	A_g	1067	1030	0.00
7	A_g	985	951	0.00
8	A_g	477	461	0.00
9	A_u	3053	2947	98.39
10	A_u	1230	1187	1.52
11	A_u	845	815	2.09
12	A_u	231	223	244.15
13	A_u	118	113	42.34
14	B_g	3024	2920	0.00
15	B_g	1310	1264	0.00
16	B_g	1161	1120	0.00
17	B_g	209	202	0.00
18	B_u	3838	3705	66.70
19	B_u	3005	2901	106.27
20	B_u	1536	1483	5.64
21	B_u	1413	1364	2.87
22	B_u	1190	1149	97.14
23	B_u	1051	1014	221.25
24	B_u	297	286	22.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.435	0.621	0.000
C2	-0.435	-0.621	0.000
O3	0.435	-1.754	0.000
O4	-0.435	1.754	0.000
H5	-0.098	-2.557	0.000
H6	0.098	2.557	0.000
H7	-1.078	-0.611	0.888
H8	-1.078	-0.611	-0.888
H9	1.078	0.611	0.888
H10	1.078	0.611	-0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5172	2.3760	1.4286	3.2224	1.9643	2.1440	2.1440	1.0961	1.0961
C2	1.5172		1.4286	2.3760	1.9643	3.2224	1.0961	1.0961	2.1440	2.1440
O3	2.3760	1.4286		3.6153	0.9628	4.3243	2.0936	2.0936	2.6075	2.6075
O4	1.4286	2.3760	3.6153		4.3243	0.9628	2.6075	2.6075	2.0936	2.0936
H5	3.2224	1.9643	0.9628	4.3243		5.1169	2.3521	2.3521	3.4937	3.4937
H6	1.9643	3.2224	4.3243	0.9628	5.1169		3.4937	3.4937	2.3521	2.3521
H7	2.1440	1.0961	2.0936	2.6075	2.3521	3.4937		1.7759	2.4780	3.0487
H8	2.1440	1.0961	2.0936	2.6075	2.3521	3.4937	1.7759		3.0487	2.4780
H9	1.0961	2.1440	2.6075	2.0936	3.4937	2.3521	2.4780	3.0487		1.7759
H10	1.0961	2.1440	2.6075	2.0936	3.4937	2.3521	3.0487	2.4780	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.485	C1	C2	H7	109.192
C1	C2	H8	109.192	C1	O4	H6	108.894
C2	C1	O4	107.485	C2	C1	H9	109.192
C2	C1	H10	109.192	C2	O3	H5	108.894
O3	C2	H7	111.364	O3	C2	H8	111.364
O4	C1	H9	111.364	O4	C1	H10	111.364
H7	C2	H8	108.209	H9	C1	H10	108.209

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

using model chemistry: B3LYP/TZVP

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	-0.080
2	C	-0.080
3	O	-0.396
4	O	-0.396
5	H	0.271
6	H	0.271
7	H	0.103
8	H	0.103
9	H	0.103
10	H	0.103

	x	y	z
x	4.833	0.019	0.000
y	0.019	5.712	0.000
z	0.000	0.000	4.366

<r²>	96.074
(<r²>)^1/2	9.802

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

using model chemistry: B3LYP/TZVP

States and conformations

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