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	hartrees
Energy at 0K	-228.897973
Energy at 298.15K	-228.905196
HF Energy	-228.897973
Nuclear repulsion energy	129.202177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3630	3440	0.00
2	A_g	3046	2887	0.00
3	A_g	1597	1514	0.00
4	A_g	1513	1434	0.00
5	A_g	1324	1255	0.00
6	A_g	1064	1009	0.00
7	A_g	1001	949	0.00
8	A_g	472	447	0.00
9	A_u	3105	2943	117.52
10	A_u	1241	1176	0.73
11	A_u	890	843	2.20
12	A_u	283	268	337.51
13	A_u	140	133	10.06
14	B_g	3074	2914	0.00
15	B_g	1359	1288	0.00
16	B_g	1170	1109	0.00
17	B_g	277	262	0.00
18	B_u	3631	3441	7.80
19	B_u	3052	2893	79.89
20	B_u	1606	1522	5.86
21	B_u	1457	1381	4.57
22	B_u	1236	1171	99.02
23	B_u	1053	998	174.61
24	B_u	277	262	29.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.446	0.613	0.000
C2	-0.446	-0.613	0.000
O3	0.446	-1.754	0.000
O4	-0.446	1.754	0.000
H5	-0.081	-2.583	0.000
H6	0.081	2.583	0.000
H7	-1.091	-0.561	0.888
H8	-1.091	-0.561	-0.888
H9	1.091	0.561	0.888
H10	1.091	0.561	-0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5162	2.3671	1.4487	3.2393	2.0038	2.1283	2.1283	1.0986	1.0986
C2	1.5162		1.4487	2.3671	2.0038	3.2393	1.0986	1.0986	2.1283	2.1283
O3	2.3671	1.4487		3.6201	0.9824	4.3527	2.1386	2.1386	2.5624	2.5624
O4	1.4487	2.3671	3.6201		4.3527	0.9824	2.5624	2.5624	2.1386	2.1386
H5	3.2393	2.0038	0.9824	4.3527		5.1689	2.4281	2.4281	3.4713	3.4713
H6	2.0038	3.2393	4.3527	0.9824	5.1689		3.4713	3.4713	2.4281	2.4281
H7	2.1283	1.0986	2.1386	2.5624	2.4281	3.4713		1.7760	2.4536	3.0289
H8	2.1283	1.0986	2.1386	2.5624	2.4281	3.4713	1.7760		3.0289	2.4536
H9	1.0986	2.1283	2.5624	2.1386	3.4713	2.4281	2.4536	3.0289		1.7760
H10	1.0986	2.1283	2.5624	2.1386	3.4713	2.4281	3.0289	2.4536	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.933	C1	C2	H7	107.903
C1	C2	H8	107.903	C1	O4	H6	109.524
C2	C1	O4	105.933	C2	C1	H9	107.903
C2	C1	H10	107.903	C2	O3	H5	109.524
O3	C2	H7	113.480	O3	C2	H8	113.480
O4	C1	H9	113.480	O4	C1	H10	113.480
H7	C2	H8	107.867	H9	C1	H10	107.867

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

using model chemistry: wB97X-D/3-21G*

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	-0.178
2	C	-0.178
3	O	-0.589
4	O	-0.589
5	H	0.359
6	H	0.359
7	H	0.204
8	H	0.204
9	H	0.204
10	H	0.204

	x	y	z
x	3.795	0.064	0.000
y	0.064	4.885	0.000
z	0.000	0.000	3.219

<r²>	95.808
(<r²>)^1/2	9.788

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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