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	hartrees
Energy at 0K	-302.875071
Energy at 298.15K
HF Energy	-302.276877
Nuclear repulsion energy	183.923665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3038	27.15
2	A'	3115	2959	20.24
3	A'	1572	1493	0.30
4	A'	1355	1287	0.17
5	A'	1212	1152	2.04
6	A'	972	924	0.42
7	A'	886	842	0.53
8	A'	859	816	14.61
9	A'	722	686	2.29
10	A'	615	584	1.87
11	A'	326	310	5.92
12	A"	3176	3018	0.36
13	A"	3106	2951	16.06
14	A"	1559	1481	1.37
15	A"	1380	1311	0.39
16	A"	1255	1192	0.01
17	A"	1131	1075	0.24
18	A"	929	882	0.74
19	A"	684	650	25.48
20	A"	604	574	15.17
21	A"	44i	41i	3.92

Atom	x (Å)	y (Å)	z (Å)
O1	-0.548	-1.120	0.000
O2	0.136	-0.488	1.141
O3	0.136	-0.488	-1.141
C4	0.136	0.931	0.788
C5	0.136	0.931	-0.788
H6	1.036	1.366	1.228
H7	1.036	1.366	-1.228
H8	-0.755	1.431	1.182
H9	-0.755	1.431	-1.182

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4728	1.4728	2.3015	2.3015	3.1926	3.1926	2.8186	2.8186
O2	1.4728		2.2819	1.4627	2.3951	2.0623	3.1394	2.1161	3.1417
O3	1.4728	2.2819		2.3951	1.4627	3.1394	2.0623	3.1417	2.1161
C4	2.3015	1.4627	2.3951		1.5763	1.0910	2.2496	1.0947	2.2189
C5	2.3015	2.3951	1.4627	1.5763		2.2496	1.0910	2.2189	1.0947
H6	3.1926	2.0623	3.1394	1.0910	2.2496		2.4554	1.7921	3.0023
H7	3.1926	3.1394	2.0623	2.2496	1.0910	2.4554		3.0023	1.7921
H8	2.8186	2.1161	3.1417	1.0947	2.2189	1.7921	3.0023		2.3632
H9	2.8186	3.1417	2.1161	2.2189	1.0947	3.0023	1.7921	2.3632

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.261	O1	O3	C5	103.261
O2	O1	O3	101.552	O2	C4	C5	103.956
O2	C4	H6	106.813	O2	C4	H8	110.859
O3	C5	C4	103.956	O3	C5	H7	106.813
O3	C5	H9	110.859	C4	C5	H7	113.756
C4	C5	H9	111.062	C5	C4	H6	113.756
C5	C4	H8	111.062	H6	C4	H8	110.150
H7	C5	H9	110.150

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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