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	hartrees
Energy at 0K	-303.310943
Energy at 298.15K	-303.317582
HF Energy	-302.448265
Nuclear repulsion energy	193.382990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	3044	31.08
2	A'	3100	2966	44.02
3	A'	1526	1460	0.11
4	A'	1369	1310	0.62
5	A'	1258	1204	2.35
6	A'	1070	1024	38.65
7	A'	972	930	10.16
8	A'	929	889	2.94
9	A'	869	832	1.03
10	A'	732	700	2.07
11	A'	413	395	3.98
12	A"	3165	3028	0.58
13	A"	3088	2954	26.94
14	A"	1508	1443	0.11
15	A"	1368	1309	0.47
16	A"	1238	1184	0.00
17	A"	1170	1119	0.05
18	A"	1077	1030	2.20
19	A"	809	774	29.53
20	A"	750	718	2.27
21	A"	127	121	3.44

Atom	x (Å)	y (Å)	z (Å)
O1	-0.556	-1.046	0.000
O2	0.138	-0.491	1.100
O3	0.138	-0.491	-1.100
C4	0.138	0.896	0.779
C5	0.138	0.896	-0.779
H6	1.051	1.328	1.218
H7	1.051	1.328	-1.218
H8	-0.757	1.406	1.181
H9	-0.757	1.406	-1.181

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4139	1.4139	2.2042	2.2042	3.1142	3.1142	2.7287	2.7287
O2	1.4139		2.1997	1.4231	2.3349	2.0380	3.0839	2.0984	3.0980
O3	1.4139	2.1997		2.3349	1.4231	3.0839	2.0380	3.0980	2.0984
C4	2.2042	1.4231	2.3349		1.5577	1.1012	2.2375	1.1054	2.2138
C5	2.2042	2.3349	1.4231	1.5577		2.2375	1.1012	2.2138	1.1054
H6	3.1142	2.0380	3.0839	1.1012	2.2375		2.4353	1.8098	3.0044
H7	3.1142	3.0839	2.0380	2.2375	1.1012	2.4353		3.0044	1.8098
H8	2.7287	2.0984	3.0980	1.1054	2.2138	1.8098	3.0044		2.3616
H9	2.7287	3.0980	2.0984	2.2138	1.1054	3.0044	1.8098	2.3616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.961	O1	O3	C5	101.961
O2	O1	O3	102.129	O2	C4	C5	103.035
O2	C4	H6	106.985	O2	C4	H8	111.558
O3	C5	C4	103.035	O3	C5	H7	106.985
O3	C5	H9	111.558	C4	C5	H7	113.482
C4	C5	H9	111.320	C5	C4	H6	113.482
C5	C4	H8	111.320	H6	C4	H8	110.199
H7	C5	H9	110.199

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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