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	hartrees
Energy at 0K	-229.655474
Energy at 298.15K	-229.662537
HF Energy	-228.951134
Nuclear repulsion energy	130.485051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3968	3696	0.00
2	A_g	3117	2904	0.00
3	A_g	1586	1478	0.00
4	A_g	1537	1432	0.00
5	A_g	1317	1227	0.00
6	A_g	1131	1054	0.00
7	A_g	1022	953	0.00
8	A_g	490	457	0.00
9	A_u	3183	2965	81.27
10	A_u	1262	1176	2.77
11	A_u	853	795	2.87
12	A_u	226	211	243.29
13	A_u	110	102	70.43
14	B_g	3158	2942	0.00
15	B_g	1340	1248	0.00
16	B_g	1197	1115	0.00
17	B_g	205	191	0.00
18	B_u	3968	3697	80.06
19	B_u	3121	2907	93.56
20	B_u	1594	1485	6.38
21	B_u	1440	1341	7.00
22	B_u	1210	1127	117.39
23	B_u	1115	1039	201.23
24	B_u	304	283	24.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.436	0.619	0.000
C2	-0.436	-0.619	0.000
O3	0.436	-1.739	0.000
O4	-0.436	1.739	0.000
H5	-0.079	-2.548	0.000
H6	0.079	2.548	0.000
H7	-1.075	-0.602	0.886
H8	-1.075	-0.602	-0.886
H9	1.075	0.602	0.886
H10	1.075	0.602	-0.886

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5140	2.3584	1.4198	3.2086	1.9620	2.1348	2.1348	1.0924	1.0924
C2	1.5140		1.4198	2.3584	1.9620	3.2086	1.0924	1.0924	2.1348	2.1348
O3	2.3584	1.4198		3.5865	0.9585	4.3025	2.0887	2.0887	2.5833	2.5833
O4	1.4198	2.3584	3.5865		4.3025	0.9585	2.5833	2.5833	2.0887	2.0887
H5	3.2086	1.9620	0.9585	4.3025		5.0987	2.3593	2.3593	3.4694	3.4694
H6	1.9620	3.2086	4.3025	0.9585	5.0987		3.4694	3.4694	2.3593	2.3593
H7	2.1348	1.0924	2.0887	2.5833	2.3593	3.4694		1.7710	2.4643	3.0347
H8	2.1348	1.0924	2.0887	2.5833	2.3593	3.4694	1.7710		3.0347	2.4643
H9	1.0924	2.1348	2.5833	2.0887	3.4694	2.3593	2.4643	3.0347		1.7710
H10	1.0924	2.1348	2.5833	2.0887	3.4694	2.3593	3.0347	2.4643	1.7710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.958	C1	C2	H7	108.910
C1	C2	H8	108.910	C1	O4	H6	109.642
C2	C1	O4	106.958	C2	C1	H9	108.910
C2	C1	H10	108.910	C2	O3	H5	109.642
O3	C2	H7	111.837	O3	C2	H8	111.837
O4	C1	H9	111.837	O4	C1	H10	111.837
H7	C2	H8	108.316	H9	C1	H10	108.316

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

using model chemistry: MP3=FULL/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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All results from a given calculation for C2H6O2 (1,2-Ethanediol)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

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