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	hartrees
Energy at 0K	-298.925146
Energy at 298.15K	-298.931520
HF Energy	-298.626176
Nuclear repulsion energy	188.575094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3344	3344	0.11
2	A	3227	3227	0.02
3	A	1654	1654	0.05
4	A	1481	1481	0.95
5	A	1264	1264	3.35
6	A	1195	1195	2.22
7	A	1114	1114	0.31
8	A	1020	1020	0.05
9	A	991	991	3.23
10	A	742	742	0.09
11	A	325	325	2.63
12	B	3346	3346	12.48
13	B	3224	3224	22.48
14	B	1643	1643	7.83
15	B	1400	1400	0.79
16	B	1272	1272	6.12
17	B	1180	1180	27.45
18	B	1122	1122	15.69
19	B	1047	1047	2.43
20	B	705	705	5.17
21	B	114	114	10.31

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.269
C2	0.000	1.152	0.334
C3	0.000	-1.152	0.334
O4	-0.379	-0.630	-1.005
O5	0.379	0.630	-1.005
H6	-1.020	1.636	0.317
H7	1.020	-1.636	0.317
H8	0.772	1.908	0.644
H9	-0.772	-1.908	0.644

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4837	1.4837	2.3898	2.3898	2.1502	2.1502	2.1510	2.1510
C2	1.4837		2.3048	2.2618	1.4864	1.1291	2.9692	1.1238	3.1714
C3	1.4837	2.3048		1.4864	2.2618	2.9692	1.1291	3.1714	1.1238
O4	2.3898	2.2618	1.4864		1.4708	2.7011	2.1714	3.2384	2.1228
O5	2.3898	1.4864	2.2618	1.4708		2.1714	2.7011	2.1228	3.2384
H6	2.1502	1.1291	2.9692	2.7011	2.1714		3.8560	1.8421	3.5676
H7	2.1502	2.9692	1.1291	2.1714	2.7011	3.8560		3.5676	1.8421
H8	2.1510	1.1238	3.1714	3.2384	2.1228	1.8421	3.5676		4.1164
H9	2.1510	3.1714	1.1238	2.1228	3.2384	3.5676	1.8421	4.1164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	76.158	O1	C2	H6	110.019
O1	C2	H8	110.398	O1	C3	O5	76.158
O1	C3	H7	110.019	O1	C3	H9	110.398
C2	O1	C3	101.918	C2	O4	O5	40.363
C3	O5	O4	40.363	O4	C2	H6	100.212
O4	C2	H8	143.913	O5	C3	H7	100.212
O5	C3	H9	143.913	H6	C2	H8	109.700
H7	C3	H9	109.700

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CCD/STO-3G

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: CCD/STO-3G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)