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	hartrees
Energy at 0K	-267.624945
Energy at 298.15K
HF Energy	-266.808854
Nuclear repulsion energy	194.140841

Atom	x (Å)	y (Å)	z (Å)
C1	1.160	-0.089	0.164
C2	-0.842	0.855	0.139
C3	-1.029	-0.671	-0.035
O4	0.498	1.066	-0.280
O5	0.303	-1.180	-0.095
H6	2.095	-0.213	-0.403
H7	1.378	-0.019	1.255
H8	-0.973	1.155	1.199
H9	-1.547	-0.924	-0.976
H10	-1.583	-1.120	0.810
H11	-1.511	1.459	-0.492

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11
C1		2.2129	2.2735	1.4028	1.4114	1.1008	1.1143	2.6765	3.0537	3.0007	3.1557
C2	2.2129		1.5466	1.4199	2.3461	3.1714	2.6337	1.1094	2.2142	2.2135	1.1006
C3	2.2735	1.5466		2.3256	1.4271	3.1787	2.8074	2.2041	1.1042	1.1056	2.2313
O4	1.4028	1.4199	2.3256		2.2617	2.0492	2.0750	2.0874	2.9371	3.2092	2.0581
O5	1.4114	2.3461	1.4271	2.2617		2.0594	2.0801	2.9585	2.0650	2.0930	3.2266
H6	1.1008	3.1714	3.1787	2.0492	2.0594		1.8165	3.7210	3.7547	3.9778	3.9753
H7	1.1143	2.6337	2.8074	2.0750	2.0801	1.8165		2.6280	3.7886	3.1905	3.6854
H8	2.6765	1.1094	2.2041	2.0874	2.9585	3.7210	2.6280		3.0630	2.3876	1.8005
H9	3.0537	2.2142	1.1042	2.9371	2.0650	3.7547	3.7886	3.0630		1.7975	2.4318
H10	3.0007	2.2135	1.1056	3.2092	2.0930	3.9778	3.1905	2.3876	1.7975		2.8905
H11	3.1557	1.1006	2.2313	2.0581	3.2266	3.9753	3.6854	1.8005	2.4318	2.8905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C2	103.252	C1	O5	C3	106.441
C2	C3	O5	104.103	C2	C3	H9	112.222
C2	C3	H10	112.071	C3	C2	O4	103.171
C3	C2	H8	111.107	C3	C2	H11	113.836
O4	C1	O5	106.965	O4	C1	H6	109.276
O4	C1	H7	110.523	O4	C2	H8	110.639
O4	C2	H11	108.821	O5	C1	H6	109.499
O5	C1	H7	110.336	O5	C3	H9	108.662
O5	C3	H10	110.816	H6	C1	H7	110.179
H8	C2	H11	109.122	H9	C3	H10	108.863

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

using model chemistry: CCD/cc-pVDZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C1)

	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: CCD/cc-pVDZ

States and conformations

Conformer 1 (C2)

Conformer 2 (CS)

Conformer 3 (C1)

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