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	hartrees
Energy at 0K	-303.286580
Energy at 298.15K	-303.293096
HF Energy	-302.445323
Nuclear repulsion energy	192.493955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3201	3049	27.09
2	A'	3110	2962	43.71
3	A'	1515	1443	0.12
4	A'	1345	1281	0.10
5	A'	1246	1186	2.07
6	A'	1030	981	32.32
7	A'	961	916	9.01
8	A'	872	831	0.36
9	A'	861	820	2.06
10	A'	706	673	1.89
11	A'	408	388	4.31
12	A"	3184	3033	0.12
13	A"	3098	2951	24.92
14	A"	1498	1427	0.29
15	A"	1352	1288	0.34
16	A"	1225	1167	0.00
17	A"	1160	1105	0.09
18	A"	1052	1002	0.85
19	A"	748	712	24.01
20	A"	677	644	19.33
21	A"	115	109	4.32

Atom	x (Å)	y (Å)	z (Å)
O1	-0.561	-1.046	0.000
O2	0.139	-0.490	1.106
O3	0.139	-0.490	-1.106
C4	0.139	0.896	0.779
C5	0.139	0.896	-0.779
H6	1.052	1.324	1.217
H7	1.052	1.324	-1.217
H8	-0.755	1.408	1.177
H9	-0.755	1.408	-1.177

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4222	1.4222	2.2058	2.2058	3.1144	3.1144	2.7277	2.7277
O2	1.4222		2.2126	1.4241	2.3401	2.0344	3.0860	2.0992	3.1006
O3	1.4222	2.2126		2.3401	1.4241	3.0860	2.0344	3.1006	2.0992
C4	2.2058	1.4241	2.3401		1.5583	1.0996	2.2364	1.1040	2.2104
C5	2.2058	2.3401	1.4241	1.5583		2.2364	1.0996	2.2104	1.1040
H6	3.1144	2.0344	3.0860	1.0996	2.2364		2.4337	1.8092	3.0000
H7	3.1144	3.0860	2.0344	2.2364	1.0996	2.4337		3.0000	1.8092
H8	2.7277	2.0992	3.1006	1.1040	2.2104	1.8092	3.0000		2.3533
H9	2.7277	3.1006	2.0992	2.2104	1.1040	3.0000	1.8092	2.3533

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.607	O1	O3	C5	101.607
O2	O1	O3	102.138	O2	C4	C5	103.282
O2	C4	H6	106.731	O2	C4	H8	111.641
O3	C5	C4	103.282	O3	C5	H7	106.731
O3	C5	H9	111.641	C4	C5	H7	113.456
C4	C5	H9	111.103	C5	C4	H6	113.456
C5	C4	H8	111.103	H6	C4	H8	110.368
H7	C5	H9	110.368

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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