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	hartrees
Energy at 0K	-303.666184
Energy at 298.15K	-303.672751
HF Energy	-302.544337
Nuclear repulsion energy	194.276499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3200	3038	17.21
2	A'	3127	2968	43.49
3	A'	1544	1466	0.19
4	A'	1359	1290	0.11
5	A'	1264	1200	1.97
6	A'	1035	983	30.71
7	A'	972	923	10.35
8	A'	906	860	1.89
9	A'	873	829	0.81
10	A'	713	677	1.48
11	A'	415	394	4.19
12	A"	3182	3021	0.45
13	A"	3116	2958	17.27
14	A"	1527	1450	1.38
15	A"	1374	1304	0.96
16	A"	1250	1186	0.00
17	A"	1170	1110	0.14
18	A"	1057	1004	0.79
19	A"	754	716	40.53
20	A"	721	685	5.88
21	A"	107	102	3.66

Atom	x (Å)	y (Å)	z (Å)
O1	-0.562	-1.037	0.000
O2	0.139	-0.487	1.097
O3	0.139	-0.487	-1.097
C4	0.139	0.891	0.771
C5	0.139	0.891	-0.771
H6	1.038	1.314	1.198
H7	1.038	1.314	-1.198
H8	-0.742	1.390	1.160
H9	-0.742	1.390	-1.160

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4139	1.4139	2.1915	2.1915	3.0863	3.0863	2.6966	2.6966
O2	1.4139		2.1949	1.4160	2.3214	2.0155	3.0533	2.0751	3.0659
O3	1.4139	2.1949		2.3214	1.4160	3.0533	2.0155	3.0659	2.0751
C4	2.1915	1.4160	2.3214		1.5416	1.0815	2.2055	1.0854	2.1808
C5	2.1915	2.3214	1.4160	1.5416		2.2055	1.0815	2.1808	1.0854
H6	3.0863	2.0155	3.0533	1.0815	2.2055		2.3966	1.7818	2.9558
H7	3.0863	3.0533	2.0155	2.2055	1.0815	2.3966		2.9558	1.7818
H8	2.6966	2.0751	3.0659	1.0854	2.1808	1.7818	2.9558		2.3208
H9	2.6966	3.0659	2.0751	2.1808	1.0854	2.9558	1.7818	2.3208

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.502	O1	O3	C5	101.502
O2	O1	O3	101.822	O2	C4	C5	103.337
O2	C4	H6	106.849	O2	C4	H8	111.424
O3	C5	C4	103.337	O3	C5	H7	106.849
O3	C5	H9	111.424	C4	C5	H7	113.285
C4	C5	H9	111.037	C5	C4	H6	113.285
C5	C4	H8	111.037	H6	C4	H8	110.629
H7	C5	H9	110.629

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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