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	hartrees
Energy at 0K	-303.539922
Energy at 298.15K	-303.546730
HF Energy	-302.592195
Nuclear repulsion energy	196.867124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3027	0.60
2	A	3098	2934	0.46
3	A	1573	1490	0.06
4	A	1465	1387	12.43
5	A	1263	1196	3.49
6	A	1177	1115	0.00
7	A	1085	1028	37.27
8	A	1000	947	65.09
9	A	849	804	11.20
10	A	763	722	0.35
11	A	403	382	7.51
12	B	3195	3026	42.44
13	B	3096	2932	126.95
14	B	1562	1480	2.01
15	B	1410	1335	1.47
16	B	1255	1189	7.03
17	B	1172	1110	14.29
18	B	1133	1073	197.23
19	B	988	936	5.62
20	B	723	685	2.97
21	B	179	170	17.82

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.190
C2	0.000	1.114	0.317
C3	0.000	-1.114	0.317
O4	-0.386	-0.616	-0.943
O5	0.386	0.616	-0.943
H6	-1.003	1.548	0.271
H7	1.003	-1.548	0.271
H8	0.759	1.839	0.612
H9	-0.759	-1.839	0.612

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4149	1.4149	2.2531	2.2531	2.0612	2.0612	2.0714	2.0714
C2	1.4149		2.2272	2.1744	1.4084	1.0943	2.8451	1.0903	3.0624
C3	1.4149	2.2272		1.4084	2.1744	2.8451	1.0943	3.0624	1.0903
O4	2.2531	2.1744	1.4084		1.4542	2.5571	2.0668	3.1231	2.0125
O5	2.2531	1.4084	2.1744	1.4542		2.0668	2.5571	2.0125	3.1231
H6	2.0612	1.0943	2.8451	2.5571	2.0668		3.6899	1.8184	3.4128
H7	2.0612	2.8451	1.0943	2.0668	2.5571	3.6899		3.4128	1.8184
H8	2.0714	1.0903	3.0624	3.1231	2.0125	1.8184	3.4128		3.9783
H9	2.0714	3.0624	1.0903	2.0125	3.1231	3.4128	1.8184	3.9783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.410	O1	C2	H6	109.799
O1	C2	H8	110.887	O1	C3	O5	74.410
O1	C3	H7	109.799	O1	C3	H9	110.887
C2	O1	C3	103.825	C2	O4	O5	39.790
C3	O5	O4	39.790	O4	C2	H6	97.405
O4	C2	H8	144.011	O5	C3	H7	97.405
O5	C3	H9	144.011	H6	C2	H8	112.682
H7	C3	H9	112.682

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)