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	hartrees
Energy at 0K	-230.198124
Energy at 298.15K	-230.205306
Nuclear repulsion energy	131.011993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3850	3690	0.00
2	A_g	3011	2886	0.00
3	A_g	1536	1472	0.00
4	A_g	1509	1446	0.00
5	A_g	1306	1252	0.00
6	A_g	1112	1066	0.00
7	A_g	1008	966	0.00
8	A_g	483	463	0.00
9	A_u	3068	2941	130.88
10	A_u	1237	1186	1.86
11	A_u	841	806	4.00
12	A_u	269	258	295.21
13	A_u	130	125	21.99
14	B_g	3037	2912	0.00
15	B_g	1316	1261	0.00
16	B_g	1166	1118	0.00
17	B_g	256	246	0.00
18	B_u	3851	3691	35.92
19	B_u	3016	2891	130.17
20	B_u	1547	1483	5.48
21	B_u	1424	1365	8.71
22	B_u	1202	1152	118.46
23	B_u	1105	1059	221.20
24	B_u	287	275	23.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.434	0.616	0.000
C2	-0.434	-0.616	0.000
O3	0.434	-1.732	0.000
O4	-0.434	1.732	0.000
H5	-0.097	-2.530	0.000
H6	0.097	2.530	0.000
H7	-1.078	-0.597	0.888
H8	-1.078	-0.597	-0.888
H9	1.078	0.597	0.888
H10	1.078	0.597	-0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5070	2.3479	1.4127	3.1910	1.9434	2.1318	2.1318	1.0969	1.0969
C2	1.5070		1.4127	2.3479	1.9434	3.1910	1.0969	1.0969	2.1318	2.1318
O3	2.3479	1.4127		3.5701	0.9588	4.2752	2.0877	2.0877	2.5742	2.5742
O4	1.4127	2.3479	3.5701		4.2752	0.9588	2.5742	2.5742	2.0877	2.0877
H5	3.1910	1.9434	0.9588	4.2752		5.0644	2.3424	2.3424	3.4568	3.4568
H6	1.9434	3.1910	4.2752	0.9588	5.0644		3.4568	3.4568	2.3424	2.3424
H7	2.1318	1.0969	2.0877	2.5742	2.3424	3.4568		1.7752	2.4645	3.0373
H8	2.1318	1.0969	2.0877	2.5742	2.3424	3.4568	1.7752		3.0373	2.4645
H9	1.0969	2.1318	2.5742	2.0877	3.4568	2.3424	2.4645	3.0373		1.7752
H10	1.0969	2.1318	2.5742	2.0877	3.4568	2.3424	3.0373	2.4645	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.015	C1	C2	H7	108.889
C1	C2	H8	108.889	C1	O4	H6	108.554
C2	C1	O4	107.015	C2	C1	H9	108.889
C2	C1	H10	108.889	C2	O3	H5	108.554
O3	C2	H7	111.973	O3	C2	H8	111.973
O4	C1	H9	111.973	O4	C1	H10	111.973
H7	C2	H8	108.027	H9	C1	H10	108.027

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

using model chemistry: B1B95/6-311G*

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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Number	Element	Mulliken
1	C	-0.219
2	C	-0.219
3	O	-0.576
4	O	-0.576
5	H	0.396
6	H	0.396
7	H	0.199
8	H	0.199
9	H	0.199
10	H	0.199

	x	y	z
x	4.463	0.120	0.000
y	0.120	5.282	0.000
z	0.000	0.000	3.886

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-311G*

States and conformations

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