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	hartrees
Energy at 0K	-61.008087
Energy at 298.15K	-61.014575
HF Energy	-60.180728
Nuclear repulsion energy	107.095899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3048	33.31
2	A'	3108	2961	47.46
3	A'	1551	1478	0.17
4	A'	1365	1300	0.06
5	A'	1244	1185	1.32
6	A'	1008	961	29.31
7	A'	953	908	12.97
8	A'	876	834	2.00
9	A'	867	826	1.13
10	A'	690	657	1.55
11	A'	406	387	4.75
12	A"	3181	3031	0.02
13	A"	3099	2952	24.29
14	A"	1534	1462	0.71
15	A"	1354	1290	0.35
16	A"	1220	1163	0.03
17	A"	1167	1111	0.17
18	A"	1032	983	0.52
19	A"	733	698	43.63
20	A"	699	666	5.87
21	A"	111	106	4.36

Atom	x (Å)	y (Å)	z (Å)
O1	-0.567	-1.056	0.000
O2	0.141	-0.492	1.115
O3	0.141	-0.492	-1.115
C4	0.141	0.905	0.783
C5	0.141	0.905	-0.783
H6	1.048	1.327	1.222
H7	1.048	1.327	-1.222
H8	-0.749	1.406	1.183
H9	-0.749	1.406	-1.183

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4359	1.4359	2.2268	2.2268	3.1270	3.1270	2.7378	2.7378
O2	1.4359		2.2296	1.4355	2.3568	2.0355	3.0969	2.0976	3.1106
O3	1.4359	2.2296		2.3568	1.4355	3.0969	2.0355	3.1106	2.0976
C4	2.2268	1.4355	2.3568		1.5669	1.0924	2.2409	1.0965	2.2159
C5	2.2268	2.3568	1.4355	1.5669		2.2409	1.0924	2.2159	1.0965
H6	3.1270	2.0355	3.0969	1.0924	2.2409		2.4431	1.7986	3.0027
H7	3.1270	3.0969	2.0355	2.2409	1.0924	2.4431		3.0027	1.7986
H8	2.7378	2.0976	3.1106	1.0965	2.2159	1.7986	3.0027		2.3663
H9	2.7378	3.1106	2.0976	2.2159	1.0965	3.0027	1.7986	2.3663

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.701	O1	O3	C5	101.701
O2	O1	O3	101.867	O2	C4	C5	103.345
O2	C4	H6	106.472	O2	C4	H8	111.170
O3	C5	C4	103.345	O3	C5	H7	106.472
O3	C5	H9	111.170	C4	C5	H7	113.644
C4	C5	H9	111.378	C5	C4	H6	113.644
C5	C4	H8	111.378	H6	C4	H8	110.514
H7	C5	H9	110.514

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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