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	hartrees
Energy at 0K	-298.929763
Energy at 298.15K	-298.936118
HF Energy	-298.625643
Nuclear repulsion energy	188.462572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3337	0.09
2	A	3218	3218	0.04
3	A	1651	1651	0.03
4	A	1475	1475	1.50
5	A	1259	1259	3.60
6	A	1183	1183	2.57
7	A	1110	1110	0.10
8	A	1015	1015	0.06
9	A	985	985	4.23
10	A	740	740	0.12
11	A	330	330	2.72
12	B	3339	3339	12.94
13	B	3216	3216	26.03
14	B	1639	1639	9.64
15	B	1385	1385	0.18
16	B	1264	1264	5.98
17	B	1168	1168	30.60
18	B	1119	1119	15.21
19	B	1034	1034	1.99
20	B	699	699	4.79
21	B	109	109	10.06

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.269
C2	0.000	1.154	0.334
C3	0.000	-1.154	0.334
O4	-0.381	-0.629	-1.005
O5	0.381	0.629	-1.005
H6	-1.022	1.635	0.315
H7	1.022	-1.635	0.315
H8	0.771	1.912	0.643
H9	-0.771	-1.912	0.643

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4847	1.4847	2.3897	2.3897	2.1509	2.1509	2.1539	2.1539
C2	1.4847		2.3079	2.2626	1.4882	1.1298	2.9704	1.1241	3.1759
C3	1.4847	2.3079		1.4882	2.2626	2.9704	1.1298	3.1759	1.1241
O4	2.3897	2.2626	1.4882		1.4714	2.6984	2.1736	3.2404	2.1244
O5	2.3897	1.4882	2.2626	1.4714		2.1736	2.6984	2.1244	3.2404
H6	2.1509	1.1298	2.9704	2.6984	2.1736		3.8564	1.8435	3.5705
H7	2.1509	2.9704	1.1298	2.1736	2.6984	3.8564		3.5705	1.8435
H8	2.1539	1.1241	3.1759	3.2404	2.1244	1.8435	3.5705		4.1222
H9	2.1539	3.1759	1.1241	2.1244	3.2404	3.5705	1.8435	4.1222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	76.111	O1	C2	H6	109.972
O1	C2	H8	110.544	O1	C3	O5	76.111
O1	C3	H7	109.972	O1	C3	H9	110.544
C2	O1	C3	102.015	C2	O4	O5	40.415
C3	O5	O4	40.415	O4	C2	H6	99.975
O4	C2	H8	144.034	O5	C3	H7	99.975
O5	C3	H9	144.034	H6	C2	H8	109.756
H7	C3	H9	109.756

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: QCISD/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: QCISD/STO-3G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)