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	hartrees
Energy at 0K	-303.583806
Energy at 298.15K	-303.590334
HF Energy	-302.532940
Nuclear repulsion energy	192.400449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3160	3021
2	A'	3081	2945
3	A'	1537	1469
4	A'	1372	1311
5	A'	1257	1202
6	A'	1014	969
7	A'	948	907
8	A'	874	836
9	A'	866	828
10	A'	695	664
11	A'	414	396
12	A"	3143	3005
13	A"	3071	2936
14	A"	1518	1451
15	A"	1364	1304
16	A"	1221	1167
17	A"	1172	1120
18	A"	1032	987
19	A"	736	703
20	A"	688	658
21	A"	120	115

Atom	x (Å)	y (Å)	z (Å)
O1	-0.590	-1.050	0.000
O2	0.147	-0.489	1.119
O3	0.147	-0.489	-1.119
C4	0.147	0.898	0.776
C5	0.147	0.898	-0.776
H6	1.051	1.324	1.211
H7	1.051	1.324	-1.211
H8	-0.744	1.395	1.168
H9	-0.744	1.395	-1.168

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4525	1.4525	2.2233	2.2233	3.1301	3.1301	2.7145	2.7145
O2	1.4525		2.2372	1.4287	2.3482	2.0278	3.0874	2.0843	3.0937
O3	1.4525	2.2372		2.3482	1.4287	3.0874	2.0278	3.0937	2.0843
C4	2.2233	1.4287	2.3482		1.5524	1.0898	2.2246	1.0924	2.1955
C5	2.2233	2.3482	1.4287	1.5524		2.2246	1.0898	2.1955	1.0924
H6	3.1301	2.0278	3.0874	1.0898	2.2246		2.4227	1.7964	2.9811
H7	3.1301	3.0874	2.0278	2.2246	1.0898	2.4227		2.9811	1.7964
H8	2.7145	2.0843	3.0937	1.0924	2.1955	1.7964	2.9811		2.3363
H9	2.7145	3.0937	2.0843	2.1955	1.0924	2.9811	1.7964	2.3363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.002	O1	O3	C5	101.002
O2	O1	O3	100.732	O2	C4	C5	103.866
O2	C4	H6	106.472	O2	C4	H8	110.825
O3	C5	C4	103.866	O3	C5	H7	106.472
O3	C5	H9	110.825	C4	C5	H7	113.535
C4	C5	H9	111.025	C5	C4	H6	113.535
C5	C4	H8	111.025	H6	C4	H8	110.807
H7	C5	H9	110.807

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)

using model chemistry: CCSD(T)=FULL/TZVP

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 C2H4O3 (1,2,3-trioxolane)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)