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	hartrees
Energy at 0K	-303.331396
Energy at 298.15K	-303.338202
HF Energy	-302.519098
Nuclear repulsion energy	196.140286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3003	1.22
2	A	3091	2926	0.55
3	A	1592	1507	0.01
4	A	1469	1391	17.39
5	A	1263	1195	3.90
6	A	1187	1124	0.24
7	A	1112	1053	41.15
8	A	1018	963	47.70
9	A	899	851	16.64
10	A	772	731	0.38
11	A	388	367	6.44
12	B	3174	3004	50.81
13	B	3089	2924	111.35
14	B	1580	1496	6.86
15	B	1405	1329	2.45
16	B	1255	1188	8.09
17	B	1179	1116	14.48
18	B	1164	1101	196.54
19	B	1018	964	3.83
20	B	732	693	3.23
21	B	174	164	19.92

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
C2	0.000	1.122	0.321
C3	0.000	-1.122	0.321
O4	-0.381	-0.621	-0.947
O5	0.381	0.621	-0.947
H6	-1.001	1.569	0.282
H7	1.001	-1.569	0.282
H8	0.762	1.847	0.621
H9	-0.762	-1.847	0.621

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4174	1.4174	2.2551	2.2551	2.0697	2.0697	2.0766	2.0766
C2	1.4174		2.2437	2.1883	1.4157	1.0975	2.8714	1.0939	3.0798
C3	1.4174	2.2437		1.4157	2.1883	2.8714	1.0975	3.0798	1.0939
O4	2.2551	2.1883	1.4157		1.4562	2.5866	2.0789	3.1392	2.0272
O5	2.2551	1.4157	2.1883	1.4562		2.0789	2.5866	2.0272	3.1392
H6	2.0697	1.0975	2.8714	2.5866	2.0789		3.7228	1.8170	3.4412
H7	2.0697	2.8714	1.0975	2.0789	2.5866	3.7228		3.4412	1.8170
H8	2.0766	1.0939	3.0798	3.1392	2.0272	1.8170	3.4412		3.9960
H9	2.0766	3.0798	1.0939	2.0272	3.1392	3.4412	1.8170	3.9960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.977	O1	C2	H6	110.123
O1	C2	H8	110.910	O1	C3	O5	73.977
O1	C3	H7	110.123	O1	C3	H9	110.910
C2	O1	C3	104.648	C2	O4	O5	39.679
C3	O5	O4	39.679	O4	C2	H6	98.347
O4	C2	H8	143.918	O5	C3	H7	98.347
O5	C3	H9	143.918	H6	C2	H8	112.032
H7	C3	H9	112.032

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CCD/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 (trioxolane124)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)