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	hartrees
Energy at 0K	-268.067268
Energy at 298.15K
Nuclear repulsion energy	195.123906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3152	2998	21.23
2	A	3041	2892	2.47
3	A	3032	2884	136.99
4	A	1585	1508	5.36
5	A	1544	1468	2.07
6	A	1404	1335	10.61
7	A	1271	1209	11.19
8	A	1236	1175	97.60
9	A	1186	1128	96.77
10	A	1161	1104	40.99
11	A	1004	955	3.34
12	A	973	925	3.71
13	A	744	707	0.50
14	A	274	261	0.64
15	A	3156	3002	37.88
16	A	3075	2924	85.78
17	A	3048	2898	74.98
18	A	1538	1463	1.83
19	A	1457	1385	12.26
20	A	1358	1291	0.14
21	A	1244	1183	3.31
22	A	1170	1113	19.66
23	A	1113	1059	36.24
24	A	994	945	60.48
25	A	927	881	21.82
26	A	650	618	4.11
27	A	22i	21i	16.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.195
C2	-0.283	0.707	-0.939
C3	0.283	-0.707	-0.939
O4	0.000	1.142	0.375
O5	0.000	-1.142	0.375
H6	0.898	0.041	1.830
H7	-0.898	-0.041	1.830
H8	-1.366	0.702	-1.138
H9	1.366	-0.702	-1.138
H10	-0.209	-1.385	-1.641
H11	0.209	1.385	-1.641

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2660	2.2660	1.4064	1.4064	1.1004	1.1004	2.7934	2.7934	3.1633	3.1633
C2	2.2660		1.5233	1.4125	2.2859	3.0830	2.9329	1.1008	2.1780	2.2080	1.0933
C3	2.2660	1.5233		2.2859	1.4125	2.9329	3.0830	2.1780	1.1008	1.0933	2.2080
O4	1.4064	1.4125	2.2859		2.2844	2.0340	2.0791	2.0854	2.7486	3.2394	2.0410
O5	1.4064	2.2859	1.4125	2.2844		2.0791	2.0340	2.7486	2.0854	2.0410	3.2394
H6	1.1004	3.0830	2.9329	2.0340	2.0791		1.7983	3.7910	3.0949	3.9121	3.7851
H7	1.1004	2.9329	3.0830	2.0791	2.0340	1.7983		3.0949	3.7910	3.7851	3.9121
H8	2.7934	1.1008	2.1780	2.0854	2.7486	3.7910	3.0949		3.0711	2.4382	1.7892
H9	2.7934	2.1780	1.1008	2.7486	2.0854	3.0949	3.7910	3.0711		1.7892	2.4382
H10	3.1633	2.2080	1.0933	3.2394	2.0410	3.9121	3.7851	2.4382	1.7892		2.8017
H11	3.1633	1.0933	2.2080	2.0410	3.2394	3.7851	3.9121	1.7892	2.4382	2.8017

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.000	C1	O5	C3	107.000
C2	C3	O5	102.205	C2	C3	H9	111.177
C2	C3	H10	114.089	C3	C2	O4	102.205
C3	C2	H8	111.177	C3	C2	H11	114.089
O4	C1	O5	108.614	O4	C1	H6	107.839
O4	C1	H7	111.491	O4	C2	H8	111.540
O4	C2	H11	108.403	O5	C1	H6	111.491
O5	C1	H7	107.839	O5	C3	H9	111.540
O5	C3	H10	108.403	H6	C1	H7	109.592
H8	C2	H11	109.259	H9	C3	H10	109.259

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

using model chemistry: HSEh1PBE/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
1	C	0.172
2	C	-0.101
3	C	-0.101
4	O	-0.489
5	O	-0.489
6	H	0.159
7	H	0.159
8	H	0.165
9	H	0.165
10	H	0.180
11	H	0.180

	x	y	z
x	5.037	-0.061	0.000
y	-0.061	4.815	0.000
z	0.000	0.000	6.327

<r²>	92.527
(<r²>)^1/2	9.619

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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