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	hartrees
Energy at 0K	-303.562933
Energy at 298.15K	-303.569721
HF Energy	-302.549786
Nuclear repulsion energy	197.349261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3191	2999	0.46
2	A	3101	2914	0.44
3	A	1562	1468	0.00
4	A	1451	1364	9.16
5	A	1265	1189	3.49
6	A	1173	1103	0.14
7	A	1092	1027	31.93
8	A	1011	950	58.60
9	A	849	798	8.04
10	A	761	715	0.59
11	A	395	372	6.14
12	B	3191	2999	33.91
13	B	3099	2912	106.37
14	B	1550	1457	3.20
15	B	1399	1315	3.42
16	B	1254	1179	4.91
17	B	1168	1097	11.82
18	B	1134	1066	180.97
19	B	997	937	4.63
20	B	719	676	2.37
21	B	169	159	15.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
C2	0.000	1.108	0.315
C3	0.000	-1.108	0.315
O4	-0.390	-0.614	-0.940
O5	0.390	0.614	-0.940
H6	-1.000	1.547	0.268
H7	1.000	-1.547	0.268
H8	0.754	1.836	0.614
H9	-0.754	-1.836	0.614

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4101	1.4101	2.2479	2.2479	2.0581	2.0581	2.0659	2.0659
C2	1.4101		2.2164	2.1663	1.4042	1.0929	2.8372	1.0894	3.0538
C3	1.4101	2.2164		1.4042	2.1663	2.8372	1.0929	3.0538	1.0894
O4	2.2479	2.1663	1.4042		1.4550	2.5493	2.0649	3.1184	2.0098
O5	2.2479	1.4042	2.1663	1.4550		2.0649	2.5493	2.0098	3.1184
H6	2.0581	1.0929	2.8372	2.5493	2.0649		3.6834	1.8106	3.4091
H7	2.0581	2.8372	1.0929	2.0649	2.5493	3.6834		3.4091	1.8106
H8	2.0659	1.0894	3.0538	3.1184	2.0098	1.8106	3.4091		3.9694
H9	2.0659	3.0538	1.0894	2.0098	3.1184	3.4091	1.8106	3.9694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.545	O1	C2	H6	109.968
O1	C2	H8	110.830	O1	C3	O5	74.545
O1	C3	H7	109.968	O1	C3	H9	110.830
C2	O1	C3	103.603	C2	O4	O5	39.873
C3	O5	O4	39.873	O4	C2	H6	97.424
O4	C2	H8	144.549	O5	C3	H7	97.424
O5	C3	H9	144.549	H6	C2	H8	112.125
H7	C3	H9	112.125

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)