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	hartrees
Energy at 0K	-301.342973
Energy at 298.15K	-301.349692
HF Energy	-300.853918
Nuclear repulsion energy	191.032393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3065	1.02
2	A	3186	2999	0.35
3	A	1649	1553	0.05
4	A	1473	1387	4.31
5	A	1261	1187	0.14
6	A	1174	1106	2.96
7	A	1065	1002	16.61
8	A	981	923	7.29
9	A	914	860	42.92
10	A	742	699	0.37
11	A	346	325	6.98
12	B	3259	3068	51.09
13	B	3180	2994	78.80
14	B	1631	1535	9.21
15	B	1410	1327	2.62
16	B	1242	1169	1.58
17	B	1164	1096	17.13
18	B	1093	1028	166.70
19	B	917	863	3.55
20	B	688	648	5.64
21	B	178	168	26.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.219
C2	0.000	1.156	0.335
C3	0.000	-1.156	0.335
O4	-0.401	-0.640	-0.976
O5	0.401	0.640	-0.976
H6	-0.993	1.590	0.286
H7	0.993	-1.590	0.286
H8	0.760	1.867	0.639
H9	-0.760	-1.867	0.639

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4552	1.4552	2.3213	2.3213	2.0944	2.0944	2.0971	2.0971
C2	1.4552		2.3129	2.2602	1.4656	1.0852	2.9214	1.0840	3.1320
C3	1.4552	2.3129		1.4656	2.2602	2.9214	1.0852	3.1320	1.0840
O4	2.3213	2.2602	1.4656		1.5103	2.6305	2.1073	3.2004	2.0603
O5	2.3213	1.4656	2.2602	1.5103		2.1073	2.6305	2.0603	3.2004
H6	2.0944	1.0852	2.9214	2.6305	2.1073		3.7504	1.8103	3.4829
H7	2.0944	2.9214	1.0852	2.1073	2.6305	3.7504		3.4829	1.8103
H8	2.0971	1.0840	3.1320	3.2004	2.0603	1.8103	3.4829		4.0310
H9	2.0971	3.1320	1.0840	2.0603	3.2004	3.4829	1.8103	4.0310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.778	O1	C2	H6	110.212
O1	C2	H8	110.504	O1	C3	O5	73.778
O1	C3	H7	110.212	O1	C3	H9	110.504
C2	O1	C3	105.252	C2	O4	O5	39.848
C3	O5	O4	39.848	O4	C2	H6	97.418
O4	C2	H8	143.897	O5	C3	H7	97.418
O5	C3	H9	143.897	H6	C2	H8	113.136
H7	C3	H9	113.136

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CISD/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: CISD/3-21G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)