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	hartrees
Energy at 0K	-267.444302
Energy at 298.15K	-267.452624
HF Energy	-266.792451
Nuclear repulsion energy	195.536065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3251	3009	19.99
2	A	3162	2927	40.21
3	A	3153	2919	80.11
4	A	1661	1538	7.11
5	A	1621	1501	2.25
6	A	1476	1367	13.16
7	A	1328	1229	7.66
8	A	1294	1198	92.78
9	A	1244	1152	130.27
10	A	1220	1129	36.12
11	A	1039	962	1.15
12	A	1015	940	7.52
13	A	770	713	0.22
14	A	282	261	0.79
15	A	3257	3015	43.31
16	A	3208	2970	70.38
17	A	3160	2926	68.99
18	A	1613	1493	1.19
19	A	1523	1410	14.61
20	A	1425	1319	0.03
21	A	1302	1205	5.63
22	A	1226	1135	28.16
23	A	1180	1093	42.47
24	A	1036	959	57.44
25	A	965	893	23.67
26	A	677	627	5.61
27	A	15	14	20.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.200
C2	-0.298	0.696	-0.940
C3	0.298	-0.696	-0.940
O4	0.000	1.137	0.371
O5	0.000	-1.137	0.371
H6	0.893	0.037	1.824
H7	-0.893	-0.037	1.824
H8	-1.377	0.665	-1.107
H9	1.377	-0.665	-1.107
H10	-0.160	-1.384	-1.645
H11	0.160	1.384	-1.645

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2701	2.2701	1.4074	1.4074	1.0903	1.0903	2.7675	2.7675	3.1678	3.1678
C2	2.2701		1.5143	1.4152	2.2738	3.0811	2.9210	1.0921	2.1646	2.2003	1.0861
C3	2.2701	1.5143		2.2738	1.4152	2.9210	3.0811	2.1646	1.0921	1.0861	2.2003
O4	1.4074	1.4152	2.2738		2.2749	2.0297	2.0707	2.0742	2.7074	3.2322	2.0377
O5	1.4074	2.2738	1.4152	2.2749		2.0707	2.0297	2.7074	2.0742	2.0377	3.2322
H6	1.0903	3.0811	2.9210	2.0297	2.0707		1.7881	3.7599	3.0522	3.8940	3.7929
H7	1.0903	2.9210	3.0811	2.0707	2.0297	1.7881		3.0522	3.7599	3.7929	3.8940
H8	2.7675	1.0921	2.1646	2.0742	2.7074	3.7599	3.0522		3.0581	2.4429	1.7798
H9	2.7675	2.1646	1.0921	2.7074	2.0742	3.0522	3.7599	3.0581		1.7798	2.4429
H10	3.1678	2.2003	1.0861	3.2322	2.0377	3.8940	3.7929	2.4429	1.7798		2.7856
H11	3.1678	1.0861	2.2003	2.0377	3.2322	3.7929	3.8940	1.7798	2.4429	2.7856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	107.076	C1	O5	C3	107.076
C2	C3	O5	101.770	C2	C3	H9	111.259
C2	C3	H10	114.589	C3	C2	O4	101.770
C3	C2	H8	111.259	C3	C2	H11	114.589
O4	C1	O5	107.841	O4	C1	H6	108.037
O4	C1	H7	111.373	O4	C2	H8	110.979
O4	C2	H11	108.391	O5	C1	H6	111.373
O5	C1	H7	108.037	O5	C3	H9	110.979
O5	C3	H10	108.391	H6	C1	H7	110.180
H8	C2	H11	109.592	H9	C3	H10	109.592

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

using model chemistry: CISD/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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All results from a given calculation for C3H6O2 (1,3-Dioxolane)

using model chemistry: CISD/6-31G*

States and conformations

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