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	hartrees
Energy at 0K	-229.676184
Energy at 298.15K	-229.683330
HF Energy	-228.976962
Nuclear repulsion energy	130.455281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3867	3702	0.00
2	A_g	3019	2890	0.00
3	A_g	1560	1494	0.00
4	A_g	1537	1471	0.00
5	A_g	1332	1275	0.00
6	A_g	1126	1078	0.00
7	A_g	1023	980	0.00
8	A_g	490	469	0.00
9	A_u	3076	2945	112.65
10	A_u	1253	1200	2.90
11	A_u	848	812	4.41
12	A_u	243	232	281.81
13	A_u	130	125	40.58
14	B_g	3049	2919	0.00
15	B_g	1329	1272	0.00
16	B_g	1184	1133	0.00
17	B_g	226	216	0.00
18	B_u	3868	3703	29.89
19	B_u	3022	2893	106.88
20	B_u	1569	1502	5.19
21	B_u	1448	1386	11.42
22	B_u	1226	1174	150.25
23	B_u	1113	1066	171.67
24	B_u	301	288	25.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.757	0.000
C2	0.000	-0.757	0.000
O3	1.360	-1.169	0.000
O4	-1.360	1.169	0.000
H5	1.386	-2.127	0.000
H6	-1.386	2.127	0.000
H7	-0.535	-1.115	0.892
H8	-0.535	-1.115	-0.892
H9	0.535	1.115	0.892
H10	0.535	1.115	-0.892

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5148	2.3581	1.4207	3.2002	1.9485	2.1424	2.1424	1.1002	1.1002
C2	1.5148		1.4207	2.3581	1.9485	3.2002	1.1002	1.1002	2.1424	2.1424
O3	2.3581	1.4207		3.5866	0.9583	4.2900	2.0947	2.0947	2.5878	2.5878
O4	1.4207	2.3581	3.5866		4.2900	0.9583	2.5878	2.5878	2.0947	2.0947
H5	3.2002	1.9485	0.9583	4.2900		5.0776	2.3469	2.3469	3.4693	3.4693
H6	1.9485	3.2002	4.2900	0.9583	5.0776		3.4693	3.4693	2.3469	2.3469
H7	2.1424	1.1002	2.0947	2.5878	2.3469	3.4693		1.7848	2.4740	3.0506
H8	2.1424	1.1002	2.0947	2.5878	2.3469	3.4693	1.7848		3.0506	2.4740
H9	1.1002	2.1424	2.5878	2.0947	3.4693	2.3469	2.4740	3.0506		1.7848
H10	1.1002	2.1424	2.5878	2.0947	3.4693	2.3469	3.0506	2.4740	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.854	C1	C2	H7	108.993
C1	C2	H8	108.993	C1	O4	H6	108.412
C2	C1	O4	106.854	C2	C1	H9	108.993
C2	C1	H10	108.993	C2	O3	H5	108.412
O3	C2	H7	111.762	O3	C2	H8	111.762
O4	C1	H9	111.762	O4	C1	H10	111.762
H7	C2	H8	108.408	H9	C1	H10	108.408

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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