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	hartrees
Energy at 0K	-303.503586
Energy at 298.15K	-303.510433
HF Energy	-302.599770
Nuclear repulsion energy	197.050708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3160	3160	1.15
2	A	3075	3075	0.47
3	A	1569	1569	0.00
4	A	1477	1477	19.11
5	A	1268	1268	4.64
6	A	1181	1181	0.22
7	A	1107	1107	42.39
8	A	1014	1014	48.91
9	A	892	892	16.29
10	A	776	776	0.12
11	A	398	398	6.70
12	B	3160	3160	48.95
13	B	3072	3072	134.27
14	B	1557	1557	4.85
15	B	1413	1413	2.39
16	B	1258	1258	6.59
17	B	1175	1175	18.67
18	B	1151	1151	196.88
19	B	1009	1009	2.80
20	B	736	736	3.55
21	B	176	176	17.18

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.186
C2	0.000	1.116	0.319
C3	0.000	-1.116	0.319
O4	-0.377	-0.614	-0.943
O5	0.377	0.614	-0.943
H6	-1.003	1.558	0.278
H7	1.003	-1.558	0.278
H8	0.761	1.842	0.614
H9	-0.761	-1.842	0.614

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4135	1.4135	2.2474	2.2474	2.0630	2.0630	2.0736	2.0736
C2	1.4135		2.2328	2.1747	1.4094	1.0964	2.8565	1.0924	3.0692
C3	1.4135	2.2328		1.4094	2.1747	2.8565	1.0964	3.0692	1.0924
O4	2.2474	2.1747	1.4094		1.4413	2.5695	2.0702	3.1231	2.0199
O5	2.2474	1.4094	2.1747	1.4413		2.0702	2.5695	2.0199	3.1231
H6	2.0630	1.0964	2.8565	2.5695	2.0702		3.7056	1.8179	3.4253
H7	2.0630	2.8565	1.0964	2.0702	2.5695	3.7056		3.4253	1.8179
H8	2.0736	1.0924	3.0692	3.1231	2.0199	1.8179	3.4253		3.9865
H9	2.0736	3.0692	1.0924	2.0199	3.1231	3.4253	1.8179	3.9865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.176	O1	C2	H6	109.920
O1	C2	H8	111.039	O1	C3	O5	74.176
O1	C3	H7	109.920	O1	C3	H9	111.039
C2	O1	C3	104.340	C2	O4	O5	39.741
C3	O5	O4	39.741	O4	C2	H6	98.087
O4	C2	H8	143.739	O5	C3	H7	98.087
O5	C3	H9	143.739	H6	C2	H8	112.306
H7	C3	H9	112.306

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)