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	hartrees
Energy at 0K	-228.067153
Energy at 298.15K	-228.074369
HF Energy	-227.649526
Nuclear repulsion energy	128.189359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3532	3371	0.00
2	A_g	3071	2931	0.00
3	A_g	1632	1558	0.00
4	A_g	1523	1454	0.00
5	A_g	1325	1265	0.00
6	A_g	1035	988	0.00
7	A_g	995	950	0.00
8	A_g	465	444	0.00
9	A_u	3129	2987	111.72
10	A_u	1243	1186	1.66
11	A_u	897	857	3.46
12	A_u	281	269	316.75
13	A_u	138	132	9.51
14	B_g	3102	2961	0.00
15	B_g	1376	1313	0.00
16	B_g	1182	1128	0.00
17	B_g	280	267	0.00
18	B_u	3533	3372	3.21
19	B_u	3077	2937	68.14
20	B_u	1644	1569	5.26
21	B_u	1463	1396	3.38
22	B_u	1230	1174	106.18
23	B_u	1020	974	134.33
24	B_u	272	260	29.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.763	0.000
C2	0.000	-0.763	0.000
O3	1.422	-1.139	0.000
O4	-1.422	1.139	0.000
H5	1.471	-2.129	0.000
H6	-1.471	2.129	0.000
H7	-0.534	-1.116	0.890
H8	-0.534	-1.116	-0.890
H9	0.534	1.116	0.890
H10	0.534	1.116	-0.890

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5257	2.3751	1.4712	3.2448	2.0078	2.1465	2.1465	1.0965	1.0965
C2	1.5257		1.4712	2.3751	2.0078	3.2448	1.0965	1.0965	2.1465	2.1465
O3	2.3751	1.4712		3.6446	0.9910	4.3652	2.1496	2.1496	2.5820	2.5820
O4	1.4712	2.3751	3.6446		4.3652	0.9910	2.5820	2.5820	2.1496	2.1496
H5	3.2448	2.0078	0.9910	4.3652		5.1761	2.4169	2.4169	3.4929	3.4929
H6	2.0078	3.2448	4.3652	0.9910	5.1761		3.4929	3.4929	2.4169	2.4169
H7	2.1465	1.0965	2.1496	2.5820	2.4169	3.4929		1.7800	2.4746	3.0483
H8	2.1465	1.0965	2.1496	2.5820	2.4169	3.4929	1.7800		3.0483	2.4746
H9	1.0965	2.1465	2.5820	2.1496	3.4929	2.4169	2.4746	3.0483		1.7800
H10	1.0965	2.1465	2.5820	2.1496	3.4929	2.4169	3.0483	2.4746	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	104.827	C1	C2	H7	108.783
C1	C2	H8	108.783	C1	O4	H6	107.664
C2	C1	O4	104.827	C2	C1	H9	108.783
C2	C1	H10	108.783	C2	O3	H5	107.664
O3	C2	H7	112.877	O3	C2	H8	112.877
O4	C1	H9	112.877	O4	C1	H10	112.877
H7	C2	H8	108.516	H9	C1	H10	108.516

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

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.127	0.209
2	C	-0.127	0.209
3	O	-0.578	-0.655
4	O	-0.578	-0.655
5	H	0.348	0.408
6	H	0.348	0.408
7	H	0.178	0.019
8	H	0.178	0.019
9	H	0.178	0.019
10	H	0.178	0.019

	x	y	z
x	4.145	-0.559	0.000
y	-0.559	4.546	0.000
z	0.000	0.000	3.143

<r²>	97.430
(<r²>)^1/2	9.871

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

using model chemistry: MP2/3-21G

States and conformations

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