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	hartrees
Energy at 0K	-265.849177
Energy at 298.15K	-265.857320
HF Energy	-265.306688
Nuclear repulsion energy	188.836640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3127	3031	9.86
2	A	3040	2947	21.90
3	A	3034	2941	65.64
4	A	1621	1571	7.49
5	A	1578	1529	1.97
6	A	1393	1350	10.33
7	A	1253	1214	3.43
8	A	1192	1156	14.84
9	A	1149	1113	0.07
10	A	1077	1044	129.47
11	A	919	890	7.39
12	A	909	881	0.07
13	A	688	667	0.07
14	A	251	243	0.97
15	A	3134	3038	35.24
16	A	3085	2990	60.35
17	A	3041	2948	54.54
18	A	1574	1526	0.89
19	A	1425	1382	0.79
20	A	1352	1310	3.37
21	A	1219	1181	1.21
22	A	1130	1095	16.57
23	A	1045	1013	22.62
24	A	932	903	9.09
25	A	854	828	35.91
26	A	621	602	6.60
27	A	55	54	26.47

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	1.251
C2	-0.320	0.703	-0.979
C3	0.320	-0.703	-0.979
O4	0.000	1.193	0.385
O5	0.000	-1.193	0.385
H6	0.905	0.050	1.868
H7	-0.905	-0.050	1.868
H8	-1.406	0.634	-1.132
H9	1.406	-0.634	-1.132
H10	-0.131	-1.400	-1.692
H11	0.131	1.400	-1.692

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.3595	2.3595	1.4738	1.4738	1.0967	1.0967	2.8386	2.8386	3.2607	3.2607
C2	2.3595		1.5453	1.4836	2.3571	3.1672	3.0022	1.0993	2.1893	2.2284	1.0937
C3	2.3595	1.5453		2.3571	1.4836	3.0022	3.1672	2.1893	1.0993	1.0937	2.2284
O4	1.4738	1.4836	2.3571		2.3852	2.0795	2.1362	2.1427	2.7597	3.3238	2.0906
O5	1.4738	2.3571	1.4836	2.3852		2.1362	2.0795	2.7597	2.1427	2.0906	3.3238
H6	1.0967	3.1672	3.0022	2.0795	2.1362		1.8132	3.8321	3.1175	3.9804	3.8845
H7	1.0967	3.0022	3.1672	2.1362	2.0795	1.8132		3.1175	3.8321	3.8845	3.9804
H8	2.8386	1.0993	2.1893	2.1427	2.7597	3.8321	3.1175		3.0857	2.4650	1.8062
H9	2.8386	2.1893	1.0993	2.7597	2.1427	3.1175	3.8321	3.0857		1.8062	2.4650
H10	3.2607	2.2284	1.0937	3.3238	2.0906	3.9804	3.8845	2.4650	1.8062		2.8115
H11	3.2607	1.0937	2.2284	2.0906	3.3238	3.8845	3.9804	1.8062	2.4650	2.8115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	105.846	C1	O5	C3	105.846
C2	C3	O5	102.170	C2	C3	H9	110.623
C2	C3	H10	114.121	C3	C2	O4	102.170
C3	C2	H8	110.623	C3	C2	H11	114.121
O4	C1	O5	108.035	O4	C1	H6	107.079
O4	C1	H7	111.566	O4	C2	H8	111.233
O4	C2	H11	107.446	O5	C1	H6	111.566
O5	C1	H7	107.079	O5	C3	H9	111.233
O5	C3	H10	107.446	H6	C1	H7	111.509
H8	C2	H11	110.894	H9	C3	H10	110.894

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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