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	hartrees
Energy at 0K	-228.856494
Energy at 298.15K	-228.863974
HF Energy	-228.856494
Nuclear repulsion energy	129.100704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3607	3416	0.00
2	A_g	3099	2935	0.00
3	A_g	1607	1522	0.00
4	A_g	1513	1433	0.00
5	A_g	1312	1243	0.00
6	A_g	1081	1024	0.00
7	A_g	1003	950	0.00
8	A_g	472	447	0.00
9	A_u	3156	2989	94.07
10	A_u	1239	1174	1.65
11	A_u	906	858	3.13
12	A_u	387	366	338.65
13	A_u	151	143	9.45
14	B_g	3127	2962	0.00
15	B_g	1361	1290	0.00
16	B_g	1177	1114	0.00
17	B_g	378	358	0.00
18	B_u	3608	3417	7.94
19	B_u	3107	2943	59.97
20	B_u	1618	1533	5.21
21	B_u	1453	1376	3.81
22	B_u	1222	1158	98.34
23	B_u	1075	1018	167.55
24	B_u	275	260	29.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.452	0.611	0.000
C2	-0.452	-0.611	0.000
O3	0.452	-1.747	0.000
O4	-0.452	1.747	0.000
H5	-0.080	-2.581	0.000
H6	0.080	2.581	0.000
H7	-1.092	-0.572	0.889
H8	-1.092	-0.572	-0.889
H9	1.092	0.572	0.889
H10	1.092	0.572	-0.889

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5211	2.3581	1.4515	3.2368	2.0047	2.1390	2.1390	1.0963	1.0963
C2	1.5211		1.4515	2.3581	2.0047	3.2368	1.0963	1.0963	2.1390	2.1390
O3	2.3581	1.4515		3.6085	0.9900	4.3439	2.1345	2.1345	2.5641	2.5641
O4	1.4515	2.3581	3.6085		4.3439	0.9900	2.5641	2.5641	2.1345	2.1345
H5	3.2368	2.0047	0.9900	4.3439		5.1651	2.4194	2.4194	3.4793	3.4793
H6	2.0047	3.2368	4.3439	0.9900	5.1651		3.4793	3.4793	2.4194	2.4194
H7	2.1390	1.0963	2.1345	2.5641	2.4194	3.4793		1.7789	2.4650	3.0399
H8	2.1390	1.0963	2.1345	2.5641	2.4194	3.4793	1.7789		3.0399	2.4650
H9	1.0963	2.1390	2.5641	2.1345	3.4793	2.4194	2.4650	3.0399		1.7789
H10	1.0963	2.1390	2.5641	2.1345	3.4793	2.4194	3.0399	2.4650	1.7789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	104.959	C1	C2	H7	108.530
C1	C2	H8	108.530	C1	O4	H6	108.920
C2	C1	O4	104.959	C2	C1	H9	108.530
C2	C1	H10	108.530	C2	O3	H5	108.920
O3	C2	H7	113.079	O3	C2	H8	113.079
O4	C1	H9	113.079	O4	C1	H10	113.079
H7	C2	H8	108.452	H9	C1	H10	108.452

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

using model chemistry: M06-2X/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	-0.154
2	C	-0.154
3	O	-0.591
4	O	-0.591
5	H	0.355
6	H	0.355
7	H	0.195
8	H	0.195
9	H	0.195
10	H	0.195

	x	y	z
x	3.722	0.063	0.000
y	0.063	5.005	0.000
z	0.000	0.000	3.141

<r²>	95.960
(<r²>)^1/2	9.796

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

using model chemistry: M06-2X/3-21G*

States and conformations

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