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	hartrees
Energy at 0K	-303.458298
Energy at 298.15K	-303.464937
HF Energy	-302.536598
Nuclear repulsion energy	193.551946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3040	28.36
2	A'	3107	2965	45.52
3	A'	1554	1483	0.24
4	A'	1392	1329	0.38
5	A'	1274	1216	1.42
6	A'	1047	999	33.65
7	A'	967	923	13.31
8	A'	929	887	4.41
9	A'	880	840	1.03
10	A'	721	688	2.05
11	A'	422	402	4.34
12	A"	3168	3023	0.60
13	A"	3097	2956	22.95
14	A"	1535	1465	0.31
15	A"	1383	1320	0.96
16	A"	1240	1184	0.00
17	A"	1187	1133	0.00
18	A"	1058	1010	2.77
19	A"	802	765	31.97
20	A"	737	704	2.45
21	A"	126	120	3.63

Atom	x (Å)	y (Å)	z (Å)
O1	-0.562	-1.042	0.000
O2	0.140	-0.490	1.100
O3	0.140	-0.490	-1.100
C4	0.140	0.895	0.776
C5	0.140	0.895	-0.776
H6	1.042	1.323	1.209
H7	1.042	1.323	-1.209
H8	-0.747	1.395	1.173
H9	-0.747	1.395	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4163	1.4163	2.2016	2.2016	3.1025	3.1025	2.7110	2.7110
O2	1.4163		2.1997	1.4232	2.3321	2.0281	3.0714	2.0850	3.0833
O3	1.4163	2.1997		2.3321	1.4232	3.0714	2.0281	3.0833	2.0850
C4	2.2016	1.4232	2.3321		1.5516	1.0883	2.2220	1.0922	2.1982
C5	2.2016	2.3321	1.4232	1.5516		2.2220	1.0883	2.1982	1.0922
H6	3.1025	2.0281	3.0714	1.0883	2.2220		2.4187	1.7902	2.9796
H7	3.1025	3.0714	2.0281	2.2220	1.0883	2.4187		2.9796	1.7902
H8	2.7110	2.0850	3.0833	1.0922	2.1982	1.7902	2.9796		2.3455
H9	2.7110	3.0833	2.0850	2.1982	1.0922	2.9796	1.7902	2.3455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.669	O1	O3	C5	101.669
O2	O1	O3	101.893	O2	C4	C5	103.160
O2	C4	H6	106.952	O2	C4	H8	111.288
O3	C5	C4	103.160	O3	C5	H7	106.952
O3	C5	H9	111.288	C4	C5	H7	113.476
C4	C5	H9	111.311	C5	C4	H6	113.476
C5	C4	H8	111.311	H6	C4	H8	110.371
H7	C5	H9	110.371

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)

using model chemistry: CCSD/TZVP

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 (1,2,3-trioxolane)

using model chemistry: CCSD/TZVP

States and conformations

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)