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	hartrees
Energy at 0K	-303.277684
Energy at 298.15K	-303.284259
HF Energy	-302.423837
Nuclear repulsion energy	192.686720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3017	30.82
2	A'	3103	2948	37.29
3	A'	1571	1492	0.18
4	A'	1387	1317	0.48
5	A'	1272	1208	0.93
6	A'	1054	1001	32.68
7	A'	977	928	12.00
8	A'	913	867	3.03
9	A'	887	842	0.70
10	A'	717	681	1.40
11	A'	415	394	4.46
12	A"	3160	3001	0.28
13	A"	3093	2938	24.23
14	A"	1553	1475	0.04
15	A"	1383	1313	3.85
16	A"	1259	1196	0.07
17	A"	1184	1125	0.00
18	A"	1063	1010	3.07
19	A"	783	744	35.23
20	A"	737	700	0.42
21	A"	114	109	3.60

Atom	x (Å)	y (Å)	z (Å)
O1	-0.566	-1.049	0.000
O2	0.140	-0.490	1.104
O3	0.140	-0.490	-1.104
C4	0.140	0.898	0.777
C5	0.140	0.898	-0.777
H6	1.047	1.324	1.216
H7	1.047	1.324	-1.216
H8	-0.747	1.403	1.178
H9	-0.747	1.403	-1.178

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4249	1.4249	2.2117	2.2117	3.1157	3.1157	2.7256	2.7256
O2	1.4249		2.2089	1.4265	2.3380	2.0311	3.0815	2.0920	3.0951
O3	1.4249	2.2089		2.3380	1.4265	3.0815	2.0311	3.0951	2.0920
C4	2.2117	1.4265	2.3380		1.5534	1.0933	2.2298	1.0970	2.2051
C5	2.2117	2.3380	1.4265	1.5534		2.2298	1.0933	2.2051	1.0970
H6	3.1157	2.0311	3.0815	1.0933	2.2298		2.4312	1.7960	2.9920
H7	3.1157	3.0815	2.0311	2.2298	1.0933	2.4312		2.9920	1.7960
H8	2.7256	2.0920	3.0951	1.0970	2.2051	1.7960	2.9920		2.3555
H9	2.7256	3.0951	2.0920	2.2051	1.0970	2.9920	1.7960	2.3555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.733	O1	O3	C5	101.733
O2	O1	O3	101.630	O2	C4	C5	103.282
O2	C4	H6	106.677	O2	C4	H8	111.326
O3	C5	C4	103.282	O3	C5	H7	106.677
O3	C5	H9	111.326	C4	C5	H7	113.668
C4	C5	H9	111.442	C5	C4	H6	113.668
C5	C4	H8	111.442	H6	C4	H8	110.168
H7	C5	H9	110.168

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

using model chemistry: CCSD=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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