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	hartrees
Energy at 0K	-268.085579
Energy at 298.15K
HF Energy	-268.085579
Nuclear repulsion energy	194.835304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3005	20.09
2	A	3038	2901	3.59
3	A	3032	2895	132.15
4	A	1555	1485	2.28
5	A	1519	1451	0.40
6	A	1387	1325	5.04
7	A	1259	1202	11.79
8	A	1226	1170	89.66
9	A	1175	1122	112.39
10	A	1148	1097	33.44
11	A	991	946	3.53
12	A	968	924	4.69
13	A	737	704	0.50
14	A	275	262	0.59
15	B	3152	3010	28.66
16	B	3081	2942	59.52
17	B	3045	2907	74.01
18	B	1512	1444	4.08
19	B	1433	1368	9.11
20	B	1346	1286	0.45
21	B	1232	1177	5.05
22	B	1156	1104	17.75
23	B	1099	1050	35.33
24	B	979	935	77.15
25	B	917	875	21.72
26	B	648	619	4.65
27	B	56i	53i	19.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.202
C2	-0.282	0.707	-0.943
C3	0.282	-0.707	-0.943
O4	0.000	1.140	0.375
O5	0.000	-1.140	0.375
H6	0.900	0.038	1.833
H7	-0.900	-0.038	1.833
H8	-1.365	0.705	-1.138
H9	1.365	-0.705	-1.138
H10	-0.212	-1.384	-1.643
H11	0.212	1.384	-1.643

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2759	2.2759	1.4090	1.4090	1.0997	1.0997	2.7996	2.7996	3.1713	3.1713
C2	2.2759		1.5228	1.4153	2.2866	3.0901	2.9395	1.1002	2.1787	2.2068	1.0927
C3	2.2759	1.5228		2.2866	1.4153	2.9395	3.0901	2.1787	1.1002	1.0927	2.2068
O4	1.4090	1.4153	2.2866		2.2810	2.0373	2.0799	2.0838	2.7493	3.2391	2.0436
O5	1.4090	2.2866	1.4153	2.2810		2.0799	2.0373	2.7493	2.0838	2.0436	3.2391
H6	1.0997	3.0901	2.9395	2.0373	2.0799		1.8015	3.7951	3.0979	3.9171	3.7904
H7	1.0997	2.9395	3.0901	2.0799	2.0373	1.8015		3.0979	3.7951	3.7904	3.9171
H8	2.7996	1.1002	2.1787	2.0838	2.7493	3.7951	3.0979		3.0729	2.4394	1.7899
H9	2.7996	2.1787	1.1002	2.7493	2.0838	3.0979	3.7951	3.0729		1.7899	2.4394
H10	3.1713	2.2068	1.0927	3.2391	2.0436	3.9171	3.7904	2.4394	1.7899		2.8012
H11	3.1713	1.0927	2.2068	2.0436	3.2391	3.7904	3.9171	1.7899	2.4394	2.8012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.379	C1	O5	C3	107.379
C2	C3	O5	102.144	C2	C3	H9	111.308
C2	C3	H10	114.067	C3	C2	O4	102.144
C3	C2	H8	111.308	C3	C2	H11	114.067
O4	C1	O5	108.080	O4	C1	H6	107.969
O4	C1	H7	111.417	O4	C2	H8	111.250
O4	C2	H11	108.453	O5	C1	H6	111.417
O5	C1	H7	107.969	O5	C3	H9	111.250
O5	C3	H10	108.453	H6	C1	H7	109.996
H8	C2	H11	109.418	H9	C3	H10	109.418

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)

using model chemistry: HSEh1PBE/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	0.064
2	C	-0.126
3	C	-0.126
4	O	-0.374
5	O	-0.374
6	H	0.144
7	H	0.144
8	H	0.157
9	H	0.157
10	H	0.166
11	H	0.166

	x	y	z
x	5.678	-0.069	0.000
y	-0.069	5.736	0.000
z	0.000	0.000	6.910

<r²>	93.132
(<r²>)^1/2	9.650

All results from a given calculation for C3H6O2 (1,3-Dioxolane)

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

All results from a given calculation for C₃H₆O₂ (1,3-Dioxolane)