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	hartrees
Energy at 0K	-298.861938
Energy at 298.15K	-298.868387
HF Energy	-298.631641
Nuclear repulsion energy	189.967813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3446	3005	0.06
2	A	3315	2890	0.01
3	A	1698	1481	0.10
4	A	1517	1323	2.52
5	A	1299	1133	3.88
6	A	1244	1085	2.82
7	A	1150	1003	0.13
8	A	1061	925	0.46
9	A	1023	892	6.47
10	A	760	663	0.13
11	A	330	288	2.99
12	B	3449	3007	12.27
13	B	3313	2888	28.10
14	B	1686	1470	11.98
15	B	1421	1239	0.03
16	B	1298	1132	5.92
17	B	1207	1052	40.61
18	B	1157	1009	17.73
19	B	1071	934	2.43
20	B	724	631	5.05
21	B	115	100	10.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.259
C2	0.000	1.146	0.333
C3	0.000	-1.146	0.333
O4	-0.370	-0.626	-0.999
O5	0.370	0.626	-0.999
H6	-1.013	1.628	0.320
H7	1.013	-1.628	0.320
H8	0.770	1.895	0.637
H9	-0.770	-1.895	0.637

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4727	1.4727	2.3717	2.3717	2.1352	2.1352	2.1383	2.1383
C2	1.4727		2.2910	2.2471	1.4766	1.1226	2.9531	1.1168	3.1515
C3	1.4727	2.2910		1.4766	2.2471	2.9531	1.1226	3.1515	1.1168
O4	2.3717	2.2471	1.4766		1.4542	2.6900	2.1578	3.2143	2.1085
O5	2.3717	1.4766	2.2471	1.4542		2.1578	2.6900	2.1085	3.2143
H6	2.1352	1.1226	2.9531	2.6900	2.1578		3.8357	1.8307	3.5463
H7	2.1352	2.9531	1.1226	2.1578	2.6900	3.8357		3.5463	1.8307
H8	2.1383	1.1168	3.1515	3.2143	2.1085	1.8307	3.5463		4.0917
H9	2.1383	3.1515	1.1168	2.1085	3.2143	3.5463	1.8307	4.0917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	76.069	O1	C2	H6	109.988
O1	C2	H8	110.584	O1	C3	O5	76.069
O1	C3	H7	109.988	O1	C3	H9	110.584
C2	O1	C3	102.128	C2	O4	O5	40.309
C3	O5	O4	40.309	O4	C2	H6	100.581
O4	C2	H8	143.506	O5	C3	H7	100.581
O5	C3	H9	143.506	H6	C2	H8	109.675
H7	C3	H9	109.675

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/STO-3G

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 (trioxolane124)

using model chemistry: MP2/STO-3G

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)