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	hartrees
Energy at 0K	-268.201264
Energy at 298.15K	-268.196384
HF Energy	-268.366207
Nuclear repulsion energy	194.241204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3100	2992	23.98
2	A	2992	2887	4.79
3	A	2979	2874	138.09
4	A	1557	1502	4.43
5	A	1516	1463	2.03
6	A	1383	1334	6.13
7	A	1250	1207	10.15
8	A	1211	1169	54.31
9	A	1163	1122	52.86
10	A	1137	1097	115.04
11	A	972	938	5.46
12	A	952	918	4.42
13	A	736	711	1.05
14	A	254	245	0.33
15	B	3106	2997	35.75
16	B	3013	2908	87.93
17	B	3001	2896	64.44
18	B	1512	1460	1.45
19	B	1439	1388	9.31
20	B	1350	1303	0.55
21	B	1226	1183	3.19
22	B	1155	1114	14.18
23	B	1069	1031	34.67
24	B	959	926	55.21
25	B	902	870	21.47
26	B	649	627	3.28
27	B	53i	51i	13.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.205
C2	-0.285	0.708	-0.946
C3	0.285	-0.708	-0.946
O4	0.000	1.147	0.376
O5	0.000	-1.147	0.376
H6	0.899	0.042	1.838
H7	-0.899	-0.042	1.838
H8	-1.368	0.701	-1.140
H9	1.368	-0.701	-1.140
H10	-0.203	-1.388	-1.648
H11	0.203	1.388	-1.648

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2820	2.2820	1.4145	1.4145	1.1004	1.1004	2.8032	2.8032	3.1789	3.1789
C2	2.2820		1.5255	1.4222	2.2953	3.0975	2.9477	1.1002	2.1798	2.2116	1.0926
C3	2.2820	1.5255		2.2953	1.4222	2.9477	3.0975	2.1798	1.1002	1.0926	2.2116
O4	1.4145	1.4222	2.2953		2.2933	2.0408	2.0872	2.0900	2.7537	3.2503	2.0489
O5	1.4145	2.2953	1.4222	2.2933		2.0872	2.0408	2.7537	2.0900	2.0489	3.2503
H6	1.1004	3.0975	2.9477	2.0408	2.0872		1.8000	3.7997	3.1044	3.9256	3.8009
H7	1.1004	2.9477	3.0975	2.0872	2.0408	1.8000		3.1044	3.7997	3.8009	3.9256
H8	2.8032	1.1002	2.1798	2.0900	2.7537	3.7997	3.1044		3.0736	2.4448	1.7885
H9	2.8032	2.1798	1.1002	2.7537	2.0900	3.1044	3.7997	3.0736		1.7885	2.4448
H10	3.1789	2.2116	1.0926	3.2503	2.0489	3.9256	3.8009	2.4448	1.7885		2.8057
H11	3.1789	1.0926	2.2116	2.0489	3.2503	3.8009	3.9256	1.7885	2.4448	2.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.372	C1	O5	C3	107.372
C2	C3	O5	102.320	C2	C3	H9	110.964
C2	C3	H10	114.110	C3	C2	O4	102.320
C3	C2	H8	110.964	C3	C2	H11	114.110
O4	C1	O5	108.435	O4	C1	H6	107.957
O4	C1	H7	111.572	O4	C2	H8	111.558
O4	C2	H11	108.696	O5	C1	H6	111.572
O5	C1	H7	107.957	O5	C3	H9	111.558
O5	C3	H10	108.696	H6	C1	H7	109.372
H8	C2	H11	109.063	H9	C3	H10	109.063

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

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

using model chemistry: G4

States and conformations

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