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	hartrees
Energy at 0K	-303.366757
Energy at 298.15K	-303.373533
HF Energy	-302.539663
Nuclear repulsion energy	195.885633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	3030	0.82
2	A	3080	2933	0.47
3	A	1536	1463	0.01
4	A	1439	1371	15.57
5	A	1240	1181	4.26
6	A	1159	1104	0.19
7	A	1074	1023	35.39
8	A	997	950	60.54
9	A	829	789	7.17
10	A	758	722	0.53
11	A	393	374	6.36
12	B	3181	3029	50.01
13	B	3077	2931	143.93
14	B	1525	1453	5.41
15	B	1379	1313	3.07
16	B	1230	1171	7.90
17	B	1152	1098	15.29
18	B	1122	1068	197.25
19	B	984	937	4.78
20	B	715	681	2.83
21	B	176	167	15.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.193
C2	0.000	1.117	0.318
C3	0.000	-1.117	0.318
O4	-0.391	-0.622	-0.946
O5	0.391	0.622	-0.946
H6	-1.010	1.565	0.276
H7	1.010	-1.565	0.276
H8	0.763	1.852	0.617
H9	-0.763	-1.852	0.617

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4189	1.4189	2.2613	2.2613	2.0758	2.0758	2.0837	2.0837
C2	1.4189		2.2337	2.1844	1.4124	1.1055	2.8657	1.1009	3.0795
C3	1.4189	2.2337		1.4124	2.1844	2.8657	1.1055	3.0795	1.1009
O4	2.2613	2.1844	1.4124		1.4684	2.5798	2.0843	3.1451	2.0238
O5	2.2613	1.4124	2.1844	1.4684		2.0843	2.5798	2.0238	3.1451
H6	2.0758	1.1055	2.8657	2.5798	2.0843		3.7246	1.8283	3.4421
H7	2.0758	2.8657	1.1055	2.0843	2.5798	3.7246		3.4421	1.8283
H8	2.0837	1.1009	3.0795	3.1451	2.0238	1.8283	3.4421		4.0053
H9	2.0837	3.0795	1.1009	2.0238	3.1451	3.4421	1.8283	4.0053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.357	O1	C2	H6	110.010
O1	C2	H8	110.938	O1	C3	O5	74.357
O1	C3	H7	110.010	O1	C3	H9	110.938
C2	O1	C3	103.839	C2	O4	O5	39.741
C3	O5	O4	39.741	O4	C2	H6	97.875
O4	C2	H8	144.352	O5	C3	H7	97.875
O5	C3	H9	144.352	H6	C2	H8	111.916
H7	C3	H9	111.916

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)