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	hartrees
Energy at 0K	-229.021132
Energy at 298.15K	-229.028493
HF Energy	-229.021132
Nuclear repulsion energy	131.561287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	4176	3794	0.00
2	A_g	3165	2875	0.00
3	A_g	1653	1502	0.00
4	A_g	1627	1478	0.00
5	A_g	1388	1261	0.00
6	A_g	1187	1078	0.00
7	A_g	1053	957	0.00
8	A_g	514	467	0.00
9	A_u	3217	2923	127.29
10	A_u	1348	1225	5.83
11	A_u	900	818	4.03
12	A_u	266	242	292.15
13	A_u	144	131	31.35
14	B_g	3187	2896	0.00
15	B_g	1421	1291	0.00
16	B_g	1267	1151	0.00
17	B_g	254	231	0.00
18	B_u	4176	3794	124.41
19	B_u	3167	2878	121.41
20	B_u	1662	1510	7.53
21	B_u	1534	1394	10.85
22	B_u	1276	1159	185.00
23	B_u	1175	1067	214.00
24	B_u	321	292	25.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.430	0.622	0.000
C2	-0.430	-0.622	0.000
O3	0.430	-1.736	0.000
O4	-0.430	1.736	0.000
H5	-0.076	-2.528	0.000
H6	0.076	2.528	0.000
H7	-1.064	-0.628	0.880
H8	-1.064	-0.628	-0.880
H9	1.064	0.628	0.880
H10	1.064	0.628	-0.880

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5117	2.3572	1.4074	3.1896	1.9385	2.1372	2.1372	1.0845	1.0845
C2	1.5117		1.4074	2.3572	1.9385	3.1896	1.0845	1.0845	2.1372	2.1372
O3	2.3572	1.4074		3.5763	0.9400	4.2778	2.0579	2.0579	2.6002	2.6002
O4	1.4074	2.3572	3.5763		4.2778	0.9400	2.6002	2.6002	2.0579	2.0579
H5	3.1896	1.9385	0.9400	4.2778		5.0574	2.3151	2.3151	3.4684	3.4684
H6	1.9385	3.1896	4.2778	0.9400	5.0574		3.4684	3.4684	2.3151	2.3151
H7	2.1372	1.0845	2.0579	2.6002	2.3151	3.4684		1.7592	2.4714	3.0335
H8	2.1372	1.0845	2.0579	2.6002	2.3151	3.4684	1.7592		3.0335	2.4714
H9	1.0845	2.1372	2.6002	2.0579	3.4684	2.3151	2.4714	3.0335		1.7592
H10	1.0845	2.1372	2.6002	2.0579	3.4684	2.3151	3.0335	2.4714	1.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.656	C1	C2	H7	109.714
C1	C2	H8	109.714	C1	O4	H6	109.729
C2	C1	O4	107.656	C2	C1	H9	109.714
C2	C1	H10	109.714	C2	O3	H5	109.729
O3	C2	H7	110.680	O3	C2	H8	110.680
O4	C1	H9	110.680	O4	C1	H10	110.680
H7	C2	H8	108.391	H9	C1	H10	108.391

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

using model chemistry: HF/TZVP

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	0.043
2	C	0.043
3	O	-0.446
4	O	-0.446
5	H	0.279
6	H	0.279
7	H	0.062
8	H	0.062
9	H	0.062
10	H	0.062

	x	y	z
x	4.352	0.007	0.000
y	0.007	5.081	0.000
z	0.000	0.000	3.986

<r²>	94.359
(<r²>)^1/2	9.714

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

using model chemistry: HF/TZVP

States and conformations

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