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	hartrees
Energy at 0K	-230.183159
Energy at 298.15K	-230.190220
Nuclear repulsion energy	130.324848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3888	3733	0.00
2	A_g	3016	2896	0.00
3	A_g	1523	1463	0.00
4	A_g	1479	1420	0.00
5	A_g	1280	1229	0.00
6	A_g	1100	1056	0.00
7	A_g	991	952	0.00
8	A_g	480	461	0.00
9	A_u	3079	2956	90.81
10	A_u	1228	1179	1.20
11	A_u	832	799	1.86
12	A_u	241	231	269.75
13	A_u	116	112	36.74
14	B_g	3052	2930	0.00
15	B_g	1303	1251	0.00
16	B_g	1159	1112	0.00
17	B_g	224	215	0.00
18	B_u	3888	3733	80.49
19	B_u	3022	2901	112.66
20	B_u	1531	1470	6.79
21	B_u	1396	1341	4.88
22	B_u	1181	1134	80.85
23	B_u	1088	1045	244.78
24	B_u	293	281	23.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.758	0.000
C2	0.000	-0.758	0.000
O3	1.358	-1.175	0.000
O4	-1.358	1.175	0.000
H5	1.391	-2.136	0.000
H6	-1.391	2.136	0.000
H7	-0.534	-1.118	0.891
H8	-0.534	-1.118	-0.891
H9	0.534	1.118	0.891
H10	0.534	1.118	-0.891

	C1	C2	O3	O4	H5	H6	H7	H8	H9	H10
C1		1.5165	2.3622	1.4204	3.2114	1.9580	2.1449	2.1449	1.0992	1.0992
C2	1.5165		1.4204	2.3622	1.9580	3.2114	1.0992	1.0992	2.1449	2.1449
O3	2.3622	1.4204		3.5911	0.9623	4.3034	2.0921	2.0921	2.5943	2.5943
O4	1.4204	2.3622	3.5911		4.3034	0.9623	2.5943	2.5943	2.0921	2.0921
H5	3.2114	1.9580	0.9623	4.3034		5.0985	2.3527	2.3527	3.4815	3.4815
H6	1.9580	3.2114	4.3034	0.9623	5.0985		3.4815	3.4815	2.3527	2.3527
H7	2.1449	1.0992	2.0921	2.5943	2.3527	3.4815		1.7813	2.4789	3.0526
H8	2.1449	1.0992	2.0921	2.5943	2.3527	3.4815	1.7813		3.0526	2.4789
H9	1.0992	2.1449	2.5943	2.0921	3.4815	2.3527	2.4789	3.0526		1.7813
H10	1.0992	2.1449	2.5943	2.0921	3.4815	2.3527	3.0526	2.4789	1.7813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	107.041	C1	C2	H7	109.130
C1	C2	H8	109.130	C1	O4	H6	109.004
C2	C1	O4	107.041	C2	C1	H9	109.130
C2	C1	H10	109.130	C2	O3	H5	109.004
O3	C2	H7	111.623	O3	C2	H8	111.623
O4	C1	H9	111.623	O4	C1	H10	111.623
H7	C2	H8	108.246	H9	C1	H10	108.246

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

using model chemistry: B3PW91/6-31+G**

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	-0.122
2	C	-0.122
3	O	-0.537
4	O	-0.537
5	H	0.354
6	H	0.354
7	H	0.152
8	H	0.152
9	H	0.152
10	H	0.152

<r²>	95.676
(<r²>)^1/2	9.781

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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