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	hartrees
Energy at 0K	-230.134967
Energy at 298.15K	-230.142128
Nuclear repulsion energy	130.939885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3836	3642	0.00
2	A_g	3035	2881	0.00
3	A_g	1557	1478	0.00
4	A_g	1518	1441	0.00
5	A_g	1314	1247	0.00
6	A_g	1132	1075	0.00
7	A_g	1011	960	0.00
8	A_g	485	460	0.00
9	A_u	3092	2935	125.38
10	A_u	1243	1180	2.16
11	A_u	842	800	3.49
12	A_u	261	247	267.29
13	A_u	131	124	24.26
14	B_g	3064	2909	0.00
15	B_g	1320	1253	0.00
16	B_g	1178	1119	0.00
17	B_g	253	240	0.00
18	B_u	3837	3642	52.25
19	B_u	3040	2886	112.44
20	B_u	1568	1488	7.45
21	B_u	1433	1360	12.74
22	B_u	1207	1146	97.76
23	B_u	1126	1069	227.99
24	B_u	289	274	21.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.434	0.619	0.000
C2	-0.434	-0.619	0.000
O3	0.434	-1.732	0.000
O4	-0.434	1.732	0.000
H5	-0.106	-2.530	0.000
H6	0.106	2.530	0.000
H7	-1.081	-0.598	0.887
H8	-1.081	-0.598	-0.887
H9	1.081	0.598	0.887
H10	1.081	0.598	-0.887

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5113	2.3506	1.4107	3.1944	1.9386	2.1355	2.1355	1.0981	1.0981
C2	1.5113		1.4107	2.3506	1.9386	3.1944	1.0981	1.0981	2.1355	2.1355
O3	2.3506	1.4107		3.5702	0.9632	4.2738	2.0891	2.0891	2.5755	2.5755
O4	1.4107	2.3506	3.5702		4.2738	0.9632	2.5755	2.5755	2.0891	2.0891
H5	3.1944	1.9386	0.9632	4.2738		5.0636	2.3382	2.3382	3.4608	3.4608
H6	1.9386	3.1944	4.2738	0.9632	5.0636		3.4608	3.4608	2.3382	2.3382
H7	2.1355	1.0981	2.0891	2.5755	2.3382	3.4608		1.7738	2.4702	3.0411
H8	2.1355	1.0981	2.0891	2.5755	2.3382	3.4608	1.7738		3.0411	2.4702
H9	1.0981	2.1355	2.5755	2.0891	3.4608	2.3382	2.4702	3.0411		1.7738
H10	1.0981	2.1355	2.5755	2.0891	3.4608	2.3382	3.0411	2.4702	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.064	C1	C2	H7	108.817
C1	C2	H8	108.817	C1	O4	H6	108.014
C2	C1	O4	107.064	C2	C1	H9	108.817
C2	C1	H10	108.817	C2	O3	H5	108.014
O3	C2	H7	112.158	O3	C2	H8	112.158
O4	C1	H9	112.158	O4	C1	H10	112.158
H7	C2	H8	107.744	H9	C1	H10	107.744

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

using model chemistry: B1B95/6-31G*

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	-0.075
2	C	-0.075
3	O	-0.636
4	O	-0.636
5	H	0.410
6	H	0.410
7	H	0.151
8	H	0.151
9	H	0.151
10	H	0.151

	x	y	z
x	4.178	0.077	0.000
y	0.077	5.065	0.000
z	0.000	0.000	3.695

<r²>	94.232
(<r²>)^1/2	9.707

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

using model chemistry: B1B95/6-31G*

States and conformations

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