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	hartrees
Energy at 0K	-230.128392
Energy at 298.15K	-230.135757
HF Energy	-230.264605
Nuclear repulsion energy	130.339966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3841	3706	0.00
2	A_g	2979	2874	0.00
3	A_g	1525	1472	0.00
4	A_g	1489	1437	0.00
5	A_g	1294	1249	0.00
6	A_g	1096	1057	0.00
7	A_g	987	953	0.00
8	A_g	480	463	0.00
9	A_u	3030	2924	117.04
10	A_u	1222	1179	2.41
11	A_u	832	803	2.40
12	A_u	242	234	213.94
13	A_u	118	114	23.31
14	B_g	3001	2896	0.00
15	B_g	1300	1254	0.00
16	B_g	1166	1125	0.00
17	B_g	233	225	0.00
18	B_u	3842	3707	50.61
19	B_u	2984	2880	110.29
20	B_u	1537	1483	5.29
21	B_u	1421	1371	15.48
22	B_u	1198	1156	82.26
23	B_u	1083	1045	215.24
24	B_u	289	278	17.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.761	0.000
C2	0.000	-0.761	0.000
O3	1.354	-1.180	0.000
O4	-1.354	1.180	0.000
H5	1.370	-2.141	0.000
H6	-1.370	2.141	0.000
H7	-0.544	-1.117	0.888
H8	-0.544	-1.117	-0.888
H9	0.544	1.117	0.888
H10	0.544	1.117	-0.888

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5211	2.3662	1.4173	3.2086	1.9447	2.1470	2.1470	1.1007	1.1007
C2	1.5211		1.4173	2.3662	1.9447	3.2086	1.1007	1.1007	2.1470	2.1470
O3	2.3662	1.4173		3.5919	0.9609	4.2951	2.0962	2.0962	2.5925	2.5925
O4	1.4173	2.3662	3.5919		4.2951	0.9609	2.5925	2.5925	2.0962	2.0962
H5	3.2086	1.9447	0.9609	4.2951		5.0833	2.3452	2.3452	3.4763	3.4763
H6	1.9447	3.2086	4.2951	0.9609	5.0833		3.4763	3.4763	2.3452	2.3452
H7	2.1470	1.1007	2.0962	2.5925	2.3452	3.4763		1.7759	2.4849	3.0543
H8	2.1470	1.1007	2.0962	2.5925	2.3452	3.4763	1.7759		3.0543	2.4849
H9	1.1007	2.1470	2.5925	2.0962	3.4763	2.3452	2.4849	3.0543		1.7759
H10	1.1007	2.1470	2.5925	2.0962	3.4763	2.3452	3.0543	2.4849	1.7759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.301	C1	C2	H7	108.641
C1	C2	H8	108.641	C1	O4	H6	108.718
C2	C1	O4	107.301	C2	C1	H9	108.641
C2	C1	H10	108.641	C2	O3	H5	108.718
O3	C2	H7	112.296	O3	C2	H8	112.296
O4	C1	H9	112.296	O4	C1	H10	112.296
H7	C2	H8	107.564	H9	C1	H10	107.564

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

using model chemistry: G4

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	-0.060
2	C	-0.060
3	O	-0.421
4	O	-0.421
5	H	0.290
6	H	0.290
7	H	0.095
8	H	0.095
9	H	0.095
10	H	0.095

<r²>	95.207
(<r²>)^1/2	9.757

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

using model chemistry: G4

States and conformations

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