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	hartrees
Energy at 0K	-227.652979
Energy at 298.15K	-227.660324
Nuclear repulsion energy	130.048896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3886	3508	0.00
2	A_g	3211	2898	0.00
3	A_g	1705	1539	0.00
4	A_g	1606	1450	0.00
5	A_g	1384	1249	0.00
6	A_g	1133	1022	0.00
7	A_g	1041	940	0.00
8	A_g	496	447	0.00
9	A_u	3267	2949	121.49
10	A_u	1331	1202	5.04
11	A_u	936	844	3.68
12	A_u	281	254	384.71
13	A_u	151	136	9.23
14	B_g	3236	2921	0.00
15	B_g	1452	1310	0.00
16	B_g	1248	1127	0.00
17	B_g	272	246	0.00
18	B_u	3887	3508	32.43
19	B_u	3216	2903	77.22
20	B_u	1717	1550	6.17
21	B_u	1548	1397	7.80
22	B_u	1283	1158	147.38
23	B_u	1125	1015	191.26
24	B_u	293	265	33.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.757	0.000
C2	0.000	-0.757	0.000
O3	1.389	-1.140	0.000
O4	-1.389	1.140	0.000
H5	1.486	-2.100	0.000
H6	-1.486	2.100	0.000
H7	-0.522	-1.112	0.880
H8	-0.522	-1.112	-0.880
H9	0.522	1.112	0.880
H10	0.522	1.112	-0.880

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5147	2.3515	1.4406	3.2209	2.0029	2.1307	2.1307	1.0826	1.0826
C2	1.5147		1.4406	2.3515	2.0029	3.2209	1.0826	1.0826	2.1307	2.1307
O3	2.3515	1.4406		3.5938	0.9649	4.3319	2.1040	2.1040	2.5681	2.5681
O4	1.4406	2.3515	3.5938		4.3319	0.9649	2.5681	2.5681	2.1040	2.1040
H5	3.2209	2.0029	0.9649	4.3319		5.1457	2.4052	2.4052	3.4668	3.4668
H6	2.0029	3.2209	4.3319	0.9649	5.1457		3.4668	3.4668	2.4052	2.4052
H7	2.1307	1.0826	2.1040	2.5681	2.4052	3.4668		1.7593	2.4564	3.0215
H8	2.1307	1.0826	2.1040	2.5681	2.4052	3.4668	1.7593		3.0215	2.4564
H9	1.0826	2.1307	2.5681	2.1040	3.4668	2.4052	2.4564	3.0215		1.7593
H10	1.0826	2.1307	2.5681	2.1040	3.4668	2.4052	3.0215	2.4564	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	105.413	C1	C2	H7	109.099
C1	C2	H8	109.099	C1	O4	H6	111.203
C2	C1	O4	105.413	C2	C1	H9	109.099
C2	C1	H10	109.099	C2	O3	H5	111.203
O3	C2	H7	112.220	O3	C2	H8	112.220
O4	C1	H9	112.220	O4	C1	H10	112.220
H7	C2	H8	108.682	H9	C1	H10	108.682

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

using model chemistry: HF/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	CHELPG
1	C	-0.095	0.339
2	C	-0.095	0.339
3	O	-0.692	-0.786
4	O	-0.692	-0.786
5	H	0.381	0.455
6	H	0.381	0.455
7	H	0.203	-0.004
8	H	0.203	-0.004
9	H	0.203	-0.004
10	H	0.203	-0.004

	x	y	z
x	3.875	-0.533	0.000
y	-0.533	4.348	0.000
z	0.000	0.000	3.070

<r²>	95.365
(<r²>)^1/2	9.766

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

using model chemistry: HF/3-21G*

States and conformations

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