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	hartrees
Energy at 0K	-230.171779
Energy at 298.15K	-230.178759
Nuclear repulsion energy	128.866044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3636	3642	0.00
2	A_g	2878	2883	0.00
3	A_g	1456	1459	0.00
4	A_g	1431	1433	0.00
5	A_g	1255	1257	0.00
6	A_g	1031	1032	0.00
7	A_g	958	960	0.00
8	A_g	462	462	0.00
9	A_u	2925	2929	149.84
10	A_u	1160	1162	0.46
11	A_u	816	818	1.85
12	A_u	239	239	200.82
13	A_u	112	113	21.98
14	B_g	2895	2900	0.00
15	B_g	1249	1251	0.00
16	B_g	1112	1114	0.00
17	B_g	230	231	0.00
18	B_u	3637	3643	30.39
19	B_u	2882	2886	134.79
20	B_u	1467	1469	6.38
21	B_u	1364	1366	8.85
22	B_u	1162	1164	85.75
23	B_u	1017	1019	201.81
24	B_u	279	279	15.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.765	0.000
C2	0.000	-0.765	0.000
O3	1.375	-1.184	0.000
O4	-1.375	1.184	0.000
H5	1.376	-2.162	0.000
H6	-1.376	2.162	0.000
H7	-0.554	-1.125	0.900
H8	-0.554	-1.125	-0.900
H9	0.554	1.125	0.900
H10	0.554	1.125	-0.900

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5305	2.3855	1.4372	3.2345	1.9608	2.1659	2.1659	1.1168	1.1168
C2	1.5305		1.4372	2.3855	1.9608	3.2345	1.1168	1.1168	2.1659	2.1659
O3	2.3855	1.4372		3.6290	0.9776	4.3318	2.1296	2.1296	2.6109	2.6109
O4	1.4372	2.3855	3.6290		4.3318	0.9776	2.6109	2.6109	2.1296	2.1296
H5	3.2345	1.9608	0.9776	4.3318		5.1255	2.3691	2.3691	3.5057	3.5057
H6	1.9608	3.2345	4.3318	0.9776	5.1255		3.5057	3.5057	2.3691	2.3691
H7	2.1659	1.1168	2.1296	2.6109	2.3691	3.5057		1.8006	2.5083	3.0877
H8	2.1659	1.1168	2.1296	2.6109	2.3691	3.5057	1.8006		3.0877	2.5083
H9	1.1168	2.1659	2.6109	2.1296	3.5057	2.3691	2.5083	3.0877		1.8006
H10	1.1168	2.1659	2.6109	2.1296	3.5057	2.3691	3.0877	2.5083	1.8006

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	106.949	C1	C2	H7	108.795
C1	C2	H8	108.795	C1	O4	H6	107.042
C2	C1	O4	106.949	C2	C1	H9	108.795
C2	C1	H10	108.795	C2	O3	H5	107.042
O3	C2	H7	112.383	O3	C2	H8	112.383
O4	C1	H9	112.383	O4	C1	H10	112.383
H7	C2	H8	107.447	H9	C1	H10	107.447

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

using model chemistry: BLYP/cc-pVDZ

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	0.123
2	C	0.123
3	O	-0.245
4	O	-0.245
5	H	0.135
6	H	0.135
7	H	-0.007
8	H	-0.007
9	H	-0.007
10	H	-0.007

	x	y	z
x	4.863	-0.426	0.000
y	-0.426	5.497	0.000
z	0.000	0.000	4.044

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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