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	hartrees
Energy at 0K	-302.199245
Energy at 298.15K	-302.205874
HF Energy	-302.199245
Nuclear repulsion energy	191.398474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3176	3060	0.44
2	A	3100	2987	0.09
3	A	1579	1521	0.03
4	A	1408	1356	0.86
5	A	1212	1167	0.23
6	A	1121	1080	0.27
7	A	1009	972	7.12
8	A	946	912	14.00
9	A	891	858	42.84
10	A	722	696	0.61
11	A	359	346	7.14
12	B	3179	3063	48.68
13	B	3095	2981	91.87
14	B	1559	1502	3.25
15	B	1350	1301	4.20
16	B	1192	1148	1.89
17	B	1109	1068	8.57
18	B	1042	1004	156.53
19	B	870	838	0.79
20	B	667	642	4.00
21	B	168	161	22.12

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.200
C2	0.000	1.152	0.335
C3	0.000	-1.152	0.335
O4	-0.367	-0.648	-0.969
O5	0.367	0.648	-0.969
H6	-0.993	1.617	0.321
H7	0.993	-1.617	0.321
H8	0.769	1.869	0.624
H9	-0.769	-1.869	0.624

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4413	1.4413	2.2937	2.2937	2.0908	2.0908	2.1016	2.1016
C2	1.4413		2.3049	2.2528	1.4457	1.0959	2.9417	1.0903	3.1312
C3	1.4413	2.3049		1.4457	2.2528	2.9417	1.0959	3.1312	1.0903
O4	2.2937	2.2528	1.4457		1.4885	2.6803	2.1103	3.1879	2.0477
O5	2.2937	1.4457	2.2528	1.4885		2.1103	2.6803	2.0477	3.1879
H6	2.0908	1.0959	2.9417	2.6803	2.1103		3.7942	1.8053	3.5059
H7	2.0908	2.9417	1.0959	2.1103	2.6803	3.7942		3.5059	1.8053
H8	2.1016	1.0903	3.1312	3.1879	2.0477	1.8053	3.5059		4.0421
H9	2.1016	3.1312	1.0903	2.0477	3.1879	3.5059	1.8053	4.0421

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.068	O1	C2	H6	110.246
O1	C2	H8	111.472	O1	C3	O5	73.068
O1	C3	H7	110.246	O1	C3	H9	111.472
C2	O1	C3	106.181	C2	O4	O5	39.153
C3	O5	O4	39.153	O4	C2	H6	100.595
O4	C2	H8	142.527	O5	C3	H7	100.595
O5	C3	H9	142.527	H6	C2	H8	111.335
H7	C3	H9	111.335

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: HSEh1PBE/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 C2H4O3 (trioxolane124)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)