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	hartrees
Energy at 0K	-303.362279
Energy at 298.15K	-303.368748
HF Energy	-302.469194
Nuclear repulsion energy	191.691153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3063	20.44
2	A'	3105	2978	44.74
3	A'	1511	1449	0.21
4	A'	1334	1279	0.44
5	A'	1233	1182	2.18
6	A'	1003	962	19.75
7	A'	951	912	19.27
8	A'	864	828	0.41
9	A'	849	814	1.31
10	A'	689	661	1.57
11	A'	407	390	4.33
12	A"	3175	3045	0.05
13	A"	3095	2968	15.40
14	A"	1493	1432	1.31
15	A"	1339	1284	0.24
16	A"	1220	1170	0.00
17	A"	1146	1099	0.22
18	A"	1018	976	0.24
19	A"	730	700	25.60
20	A"	657	630	21.65
21	A"	110	106	3.57

Atom	x (Å)	y (Å)	z (Å)
O1	-0.566	-1.050	0.000
O2	0.140	-0.492	1.107
O3	0.140	-0.492	-1.107
C4	0.140	0.901	0.780
C5	0.140	0.901	-0.780
H6	1.054	1.326	1.216
H7	1.054	1.326	-1.216
H8	-0.754	1.404	1.181
H9	-0.754	1.404	-1.181

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4268	1.4268	2.2162	2.2162	3.1223	3.1223	2.7297	2.7297
O2	1.4268		2.2143	1.4311	2.3455	2.0380	3.0888	2.0980	3.1036
O3	1.4268	2.2143		2.3455	1.4311	3.0888	2.0380	3.1036	2.0980
C4	2.2162	1.4311	2.3455		1.5596	1.0980	2.2361	1.1019	2.2133
C5	2.2162	2.3455	1.4311	1.5596		2.2361	1.0980	2.2133	1.1019
H6	3.1223	2.0380	3.0888	1.0980	2.2361		2.4329	1.8095	3.0036
H7	3.1223	3.0888	2.0380	2.2361	1.0980	2.4329		3.0036	1.8095
H8	2.7297	2.0980	3.1036	1.1019	2.2133	1.8095	3.0036		2.3624
H9	2.7297	3.1036	2.0980	2.2133	1.1019	3.0036	1.8095	2.3624

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.697	O1	O3	C5	101.697
O2	O1	O3	101.786	O2	C4	C5	103.223
O2	C4	H6	106.635	O2	C4	H8	111.179
O3	C5	C4	103.223	O3	C5	H7	106.635
O3	C5	H9	111.179	C4	C5	H7	113.430
C4	C5	H9	111.365	C5	C4	H6	113.430
C5	C4	H8	111.365	H6	C4	H8	110.682
H7	C5	H9	110.682

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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