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	hartrees
Energy at 0K	-303.362044
Energy at 298.15K	-303.368807
HF Energy	-302.523613
Nuclear repulsion energy	195.835028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3013	0.75
2	A	3131	2925	0.53
3	A	1594	1489	0.04
4	A	1463	1367	16.37
5	A	1256	1173	3.11
6	A	1176	1099	0.02
7	A	1077	1007	30.97
8	A	995	930	61.79
9	A	840	785	8.68
10	A	754	705	0.72
11	A	390	364	6.55
12	B	3225	3014	49.29
13	B	3128	2923	119.37
14	B	1582	1479	8.29
15	B	1403	1311	2.07
16	B	1244	1163	6.65
17	B	1171	1094	14.03
18	B	1132	1058	193.79
19	B	984	920	4.34
20	B	711	665	2.86
21	B	172	160	18.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.192
C2	0.000	1.119	0.319
C3	0.000	-1.119	0.319
O4	-0.394	-0.624	-0.947
O5	0.394	0.624	-0.947
H6	-0.998	1.558	0.275
H7	0.998	-1.558	0.275
H8	0.755	1.843	0.618
H9	-0.755	-1.843	0.618

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4192	1.4192	2.2627	2.2627	2.0647	2.0647	2.0724	2.0724
C2	1.4192		2.2383	2.1903	1.4154	1.0912	2.8572	1.0876	3.0712
C3	1.4192	2.2383		1.4154	2.1903	2.8572	1.0912	3.0712	1.0876
O4	2.2627	2.1903	1.4154		1.4766	2.5726	2.0747	3.1395	2.0161
O5	2.2627	1.4154	2.1903	1.4766		2.0747	2.5726	2.0161	3.1395
H6	2.0647	1.0912	2.8572	2.5726	2.0747		3.7001	1.8089	3.4264
H7	2.0647	2.8572	1.0912	2.0747	2.5726	3.7001		3.4264	1.8089
H8	2.0724	1.0876	3.0712	3.1395	2.0161	1.8089	3.4264		3.9828
H9	2.0724	3.0712	1.0876	2.0161	3.1395	3.4264	1.8089	3.9828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.208	O1	C2	H6	109.976
O1	C2	H8	110.827	O1	C3	O5	74.208
O1	C3	H7	109.976	O1	C3	H9	110.827
C2	O1	C3	104.099	C2	O4	O5	39.734
C3	O5	O4	39.734	O4	C2	H6	97.574
O4	C2	H8	144.442	O5	C3	H7	97.574
O5	C3	H9	144.442	H6	C2	H8	112.246
H7	C3	H9	112.246

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)