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	hartrees
Energy at 0K	-229.288245
Energy at 298.15K	-229.295235
HF Energy	-228.876413
Nuclear repulsion energy	126.835468

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3676	3540	0.00
2	A_g	3051	2939	0.00
3	A_g	1556	1499	0.00
4	A_g	1485	1430	0.00
5	A_g	1281	1234	0.00
6	A_g	1019	982	0.00
7	A_g	969	933	0.00
8	A_g	455	438	0.00
9	A_u	3136	3020	111.80
10	A_u	1203	1158	4.00
11	A_u	869	837	0.34
12	A_u	249	240	387.47
13	A_u	114	110	38.73
14	B_g	3111	2996	0.00
15	B_g	1318	1270	0.00
16	B_g	1146	1103	0.00
17	B_g	221	213	0.00
18	B_u	3678	3542	24.40
19	B_u	3054	2941	101.02
20	B_u	1559	1501	4.21
21	B_u	1407	1355	4.06
22	B_u	1187	1143	115.02
23	B_u	965	929	179.51
24	B_u	283	272	34.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.768	0.000
C2	0.000	-0.768	0.000
O3	1.441	-1.153	0.000
O4	-1.441	1.153	0.000
H5	1.545	-2.131	0.000
H6	-1.545	2.131	0.000
H7	-0.509	-1.150	0.903
H8	-0.509	-1.150	-0.903
H9	0.509	1.150	0.903
H10	0.509	1.150	-0.903

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5370	2.4021	1.4914	3.2857	2.0600	2.1802	2.1802	1.1041	1.1041
C2	1.5370		1.4914	2.4021	2.0600	3.2857	1.1041	1.1041	2.1802	2.1802
O3	2.4021	1.4914		3.6914	0.9835	4.4389	2.1485	2.1485	2.6435	2.6435
O4	1.4914	2.4021	3.6914		4.4389	0.9835	2.6435	2.6435	2.1485	2.1485
H5	3.2857	2.0600	0.9835	4.4389		5.2646	2.4485	2.4485	3.5572	3.5572
H6	2.0600	3.2857	4.4389	0.9835	5.2646		3.5572	3.5572	2.4485	2.4485
H7	2.1802	1.1041	2.1485	2.6435	2.4485	3.5572		1.8054	2.5145	3.0955
H8	2.1802	1.1041	2.1485	2.6435	2.4485	3.5572	1.8054		3.0955	2.5145
H9	1.1041	2.1802	2.6435	2.1485	3.5572	2.4485	2.5145	3.0955		1.8054
H10	1.1041	2.1802	2.6435	2.1485	3.5572	2.4485	3.0955	2.5145	1.8054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	104.959	C1	C2	H7	110.197
C1	C2	H8	110.197	C1	O4	H6	111.014
C2	C1	O4	104.959	C2	C1	H9	110.197
C2	C1	H10	110.197	C2	O3	H5	111.014
O3	C2	H7	110.859	O3	C2	H8	110.859
O4	C1	H9	110.859	O4	C1	H10	110.859
H7	C2	H8	109.688	H9	C1	H10	109.688

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

using model chemistry: MP2/LANL2DZ

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

using model chemistry: MP2/LANL2DZ

States and conformations

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