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	hartrees
Energy at 0K	-303.124095
Energy at 298.15K	-303.130834
HF Energy	-302.429452
Nuclear repulsion energy	195.173213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3282	3039	32.31
2	A'	3208	2970	38.09
3	A'	1623	1503	0.28
4	A'	1444	1337	0.84
5	A'	1318	1220	1.44
6	A'	1122	1039	41.41
7	A'	1016	941	22.09
8	A'	1012	937	0.10
9	A'	913	845	0.67
10	A'	765	708	1.97
11	A'	424	393	4.60
12	A"	3265	3023	0.35
13	A"	3196	2959	25.70
14	A"	1604	1485	0.01
15	A"	1438	1331	3.12
16	A"	1308	1211	0.00
17	A"	1230	1139	0.04
18	A"	1125	1042	5.01
19	A"	922	854	23.18
20	A"	781	723	8.46
21	A"	119	110	3.30

Atom	x (Å)	y (Å)	z (Å)
O1	-0.551	-1.043	0.000
O2	0.137	-0.487	1.091
O3	0.137	-0.487	-1.091
C4	0.137	0.893	0.772
C5	0.137	0.893	-0.772
H6	1.035	1.317	1.209
H7	1.035	1.317	-1.209
H8	-0.746	1.388	1.173
H9	-0.746	1.388	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4049	1.4049	2.1957	2.1957	3.0906	3.0906	2.7068	2.7068
O2	1.4049		2.1816	1.4163	2.3184	2.0184	3.0579	2.0739	3.0691
O3	1.4049	2.1816		2.3184	1.4163	3.0579	2.0184	3.0691	2.0739
C4	2.1957	1.4163	2.3184		1.5442	1.0853	2.2165	1.0886	2.1927
C5	2.1957	2.3184	1.4163	1.5442		2.2165	1.0853	2.1927	1.0886
H6	3.0906	2.0184	3.0579	1.0853	2.2165		2.4188	1.7831	2.9756
H7	3.0906	3.0579	2.0184	2.2165	1.0853	2.4188		2.9756	1.7831
H8	2.7068	2.0739	3.0691	1.0886	2.1927	1.7831	2.9756		2.3462
H9	2.7068	3.0691	2.0739	2.1927	1.0886	2.9756	1.7831	2.3462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.207	O1	O3	C5	102.207
O2	O1	O3	101.873	O2	C4	C5	103.005
O2	C4	H6	106.830	O2	C4	H8	111.097
O3	C5	C4	103.005	O3	C5	H7	106.830
O3	C5	H9	111.097	C4	C5	H7	113.761
C4	C5	H9	111.615	C5	C4	H6	113.761
C5	C4	H8	111.615	H6	C4	H8	110.220
H7	C5	H9	110.220

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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