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	hartrees
Energy at 0K	-303.363971
Energy at 298.15K	-303.370795
HF Energy	-302.525843
Nuclear repulsion energy	196.340210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3010	1.44
2	A	3126	2931	0.69
3	A	1605	1505	0.07
4	A	1482	1389	21.67
5	A	1268	1189	3.93
6	A	1191	1117	0.28
7	A	1114	1044	40.35
8	A	1019	955	45.53
9	A	902	845	16.06
10	A	774	726	0.32
11	A	387	363	6.14
12	B	3211	3011	56.21
13	B	3123	2928	124.31
14	B	1593	1493	10.60
15	B	1414	1326	2.15
16	B	1260	1181	8.03
17	B	1183	1110	16.72
18	B	1164	1092	197.09
19	B	1020	956	3.74
20	B	733	687	3.29
21	B	175	164	19.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.186
C2	0.000	1.121	0.321
C3	0.000	-1.121	0.321
O4	-0.380	-0.620	-0.947
O5	0.380	0.620	-0.947
H6	-0.996	1.567	0.283
H7	0.996	-1.567	0.283
H8	0.757	1.844	0.620
H9	-0.757	-1.844	0.620

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4164	1.4164	2.2538	2.2538	2.0652	2.0652	2.0724	2.0724
C2	1.4164		2.2425	2.1873	1.4150	1.0922	2.8673	1.0884	3.0749
C3	1.4164	2.2425		1.4150	2.1873	2.8673	1.0922	3.0749	1.0884
O4	2.2538	2.1873	1.4150		1.4553	2.5839	2.0744	3.1336	2.0230
O5	2.2538	1.4150	2.1873	1.4553		2.0744	2.5839	2.0230	3.1336
H6	2.0652	1.0922	2.8673	2.5839	2.0744		3.7141	1.8067	3.4361
H7	2.0652	2.8673	1.0922	2.0744	2.5839	3.7141		3.4361	1.8067
H8	2.0724	1.0884	3.0749	3.1336	2.0230	1.8067	3.4361		3.9868
H9	2.0724	3.0749	1.0884	2.0230	3.1336	3.4361	1.8067	3.9868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.970	O1	C2	H6	110.149
O1	C2	H8	110.979	O1	C3	O5	73.970
O1	C3	H7	110.149	O1	C3	H9	110.979
C2	O1	C3	104.667	C2	O4	O5	39.676
C3	O5	O4	39.676	O4	C2	H6	98.413
O4	C2	H8	143.964	O5	C3	H7	98.413
O5	C3	H9	143.964	H6	C2	H8	111.892
H7	C3	H9	111.892

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)