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	hartrees
Energy at 0K	-303.425433
Energy at 298.15K	-303.432079
HF Energy	-302.504327
Nuclear repulsion energy	193.767061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3026	31.34
2	A'	3094	2952	46.33
3	A'	1544	1473	0.15
4	A'	1379	1316	0.41
5	A'	1272	1213	2.39
6	A'	1049	1001	34.52
7	A'	965	920	10.76
8	A'	923	881	3.81
9	A'	873	833	1.30
10	A'	725	692	2.17
11	A'	426	407	4.19
12	A"	3155	3010	0.61
13	A"	3083	2941	25.75
14	A"	1528	1458	0.19
15	A"	1376	1313	1.47
16	A"	1246	1188	0.04
17	A"	1177	1123	0.01
18	A"	1062	1013	2.69
19	A"	786	750	36.35
20	A"	743	709	0.41
21	A"	132	126	3.97

Atom	x (Å)	y (Å)	z (Å)
O1	-0.562	-1.036	0.000
O2	0.140	-0.492	1.098
O3	0.140	-0.492	-1.098
C4	0.140	0.894	0.778
C5	0.140	0.894	-0.778
H6	1.046	1.320	1.213
H7	1.046	1.320	-1.213
H8	-0.750	1.395	1.176
H9	-0.750	1.395	-1.176

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4118	1.4118	2.1956	2.1956	3.0993	3.0993	2.7067	2.7067
O2	1.4118		2.1954	1.4223	2.3321	2.0290	3.0731	2.0879	3.0857
O3	1.4118	2.1954		2.3321	1.4223	3.0731	2.0290	3.0857	2.0879
C4	2.1956	1.4223	2.3321		1.5559	1.0919	2.2289	1.0959	2.2045
C5	2.1956	2.3321	1.4223	1.5559		2.2289	1.0919	2.2045	1.0959
H6	3.0993	2.0290	3.0731	1.0919	2.2289		2.4265	1.7981	2.9898
H7	3.0993	3.0731	2.0290	2.2289	1.0919	2.4265		2.9898	1.7981
H8	2.7067	2.0879	3.0857	1.0959	2.2045	1.7981	2.9898		2.3514
H9	2.7067	3.0857	2.0879	2.2045	1.0959	2.9898	1.7981	2.3514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.559	O1	O3	C5	101.559
O2	O1	O3	102.063	O2	C4	C5	102.990
O2	C4	H6	106.874	O2	C4	H8	111.359
O3	C5	C4	102.990	O3	C5	H7	106.874
O3	C5	H9	111.359	C4	C5	H7	113.492
C4	C5	H9	111.279	C5	C4	H6	113.492
C5	C4	H8	111.279	H6	C4	H8	110.541
H7	C5	H9	110.541

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

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

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