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	hartrees
Energy at 0K	-303.401103
Energy at 298.15K	-303.407902
HF Energy	-302.540738
Nuclear repulsion energy	196.031041

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3026	1.38
2	A	3061	2937	0.46
3	A	1541	1479	0.03
4	A	1448	1389	20.29
5	A	1243	1193	4.40
6	A	1164	1117	0.00
7	A	1086	1042	41.66
8	A	1006	965	51.59
9	A	858	824	11.04
10	A	771	739	0.34
11	A	392	376	6.02
12	B	3153	3025	56.38
13	B	3059	2934	150.29
14	B	1529	1467	7.53
15	B	1379	1323	4.26
16	B	1234	1184	7.20
17	B	1157	1110	17.09
18	B	1135	1089	194.08
19	B	993	952	2.87
20	B	727	697	3.17
21	B	174	166	15.16

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.189
C2	0.000	1.120	0.320
C3	0.000	-1.120	0.320
O4	-0.383	-0.620	-0.947
O5	0.383	0.620	-0.947
H6	-1.010	1.572	0.281
H7	1.010	-1.572	0.281
H8	0.765	1.854	0.619
H9	-0.765	-1.854	0.619

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4175	1.4175	2.2563	2.2563	2.0771	2.0771	2.0854	2.0854
C2	1.4175		2.2394	2.1853	1.4142	1.1072	2.8751	1.1024	3.0855
C3	1.4175	2.2394		1.4142	2.1853	2.8751	1.1072	3.0855	1.1024
O4	2.2563	2.1853	1.4142		1.4568	2.5894	2.0867	3.1450	2.0304
O5	2.2563	1.4142	2.1853	1.4568		2.0867	2.5894	2.0304	3.1450
H6	2.0771	1.1072	2.8751	2.5894	2.0867		3.7368	1.8290	3.4517
H7	2.0771	2.8751	1.1072	2.0867	2.5894	3.7368		3.4517	1.8290
H8	2.0854	1.1024	3.0855	3.1450	2.0304	1.8290	3.4517		4.0122
H9	2.0854	3.0855	1.1024	2.0304	3.1450	3.4517	1.8290	4.0122

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.132	O1	C2	H6	110.113
O1	C2	H8	111.089	O1	C3	O5	74.132
O1	C3	H7	110.113	O1	C3	H9	111.089
C2	O1	C3	104.356	C2	O4	O5	39.714
C3	O5	O4	39.714	O4	C2	H6	98.360
O4	C2	H8	144.053	O5	C3	H7	98.360
O5	C3	H9	144.053	H6	C2	H8	111.736
H7	C3	H9	111.736

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)