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	hartrees
Energy at 0K	-230.150455
Energy at 298.15K	-230.157601
Nuclear repulsion energy	130.467553

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3811	3646	0.00
2	A_g	3009	2878	0.00
3	A_g	1552	1485	0.00
4	A_g	1510	1445	0.00
5	A_g	1312	1255	0.00
6	A_g	1118	1069	0.00
7	A_g	1003	960	0.00
8	A_g	483	462	0.00
9	A_u	3064	2931	131.42
10	A_u	1239	1185	1.85
11	A_u	841	805	3.03
12	A_u	258	247	265.72
13	A_u	129	123	24.52
14	B_g	3036	2904	0.00
15	B_g	1316	1259	0.00
16	B_g	1175	1124	0.00
17	B_g	249	239	0.00
18	B_u	3811	3646	46.44
19	B_u	3014	2883	117.56
20	B_u	1562	1495	7.23
21	B_u	1430	1368	12.36
22	B_u	1209	1156	98.34
23	B_u	1108	1060	221.38
24	B_u	293	280	21.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.758	0.000
C2	0.000	-0.758	0.000
O3	1.353	-1.177	0.000
O4	-1.353	1.177	0.000
H5	1.363	-2.143	0.000
H6	-1.363	2.143	0.000
H7	-0.544	-1.114	0.889
H8	-0.544	-1.114	-0.889
H9	0.544	1.114	0.889
H10	0.544	1.114	-0.889

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5168	2.3610	1.4158	3.2053	1.9427	2.1430	2.1430	1.1013	1.1013
C2	1.5168		1.4158	2.3610	1.9427	3.2053	1.1013	1.1013	2.1430	2.1430
O3	2.3610	1.4158		3.5856	0.9659	4.2887	2.0953	2.0953	2.5870	2.5870
O4	1.4158	2.3610	3.5856		4.2887	0.9659	2.5870	2.5870	2.0953	2.0953
H5	3.2053	1.9427	0.9659	4.2887		5.0789	2.3419	2.3419	3.4739	3.4739
H6	1.9427	3.2053	4.2887	0.9659	5.0789		3.4739	3.4739	2.3419	2.3419
H7	2.1430	1.1013	2.0953	2.5870	2.3419	3.4739		1.7783	2.4794	3.0512
H8	2.1430	1.1013	2.0953	2.5870	2.3419	3.4739	1.7783		3.0512	2.4794
H9	1.1013	2.1430	2.5870	2.0953	3.4739	2.3419	2.4794	3.0512		1.7783
H10	1.1013	2.1430	2.5870	2.0953	3.4739	2.3419	3.0512	2.4794	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.189	C1	C2	H7	108.844
C1	C2	H8	108.844	C1	O4	H6	107.817
C2	C1	O4	107.189	C2	C1	H9	108.844
C2	C1	H10	108.844	C2	O3	H5	107.817
O3	C2	H7	112.102	O3	C2	H8	112.102
O4	C1	H9	112.102	O4	C1	H10	112.102
H7	C2	H8	107.683	H9	C1	H10	107.683

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	C	-0.088	0.166
2	C	-0.088	0.173
3	O	-0.632	-0.632
4	O	-0.632	-0.632
5	H	0.410	0.406
6	H	0.410	0.407
7	H	0.155	0.027
8	H	0.155	0.027
9	H	0.155	0.029
10	H	0.155	0.029

<r²>	94.875
(<r²>)^1/2	9.740

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

using model chemistry: B3PW91/6-31G*

States and conformations

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