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	hartrees
Energy at 0K	-303.571096
Energy at 298.15K	-303.577910
HF Energy	-302.598561
Nuclear repulsion energy	196.898623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3026	0.59
2	A	3095	2936	0.43
3	A	1561	1480	0.00
4	A	1466	1391	14.24
5	A	1261	1196	4.32
6	A	1173	1112	0.02
7	A	1086	1030	36.44
8	A	1001	949	61.12
9	A	849	805	10.44
10	A	762	723	0.29
11	A	401	380	7.15
12	B	3190	3026	41.95
13	B	3093	2934	128.68
14	B	1550	1470	2.92
15	B	1411	1338	1.72
16	B	1251	1187	7.11
17	B	1168	1108	16.44
18	B	1133	1075	195.99
19	B	992	941	5.14
20	B	722	685	3.10
21	B	177	168	16.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.189
C2	0.000	1.113	0.317
C3	0.000	-1.113	0.317
O4	-0.386	-0.616	-0.943
O5	0.386	0.616	-0.943
H6	-1.003	1.549	0.272
H7	1.003	-1.549	0.272
H8	0.759	1.839	0.611
H9	-0.759	-1.839	0.611

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4146	1.4146	2.2525	2.2525	2.0609	2.0609	2.0719	2.0719
C2	1.4146		2.2265	2.1738	1.4077	1.0947	2.8451	1.0908	3.0627
C3	1.4146	2.2265		1.4077	2.1738	2.8451	1.0947	3.0627	1.0908
O4	2.2525	2.1738	1.4077		1.4543	2.5577	2.0676	3.1233	2.0124
O5	2.2525	1.4077	2.1738	1.4543		2.0676	2.5577	2.0124	3.1233
H6	2.0609	1.0947	2.8451	2.5577	2.0676		3.6906	1.8180	3.4137
H7	2.0609	2.8451	1.0947	2.0676	2.5577	3.6906		3.4137	1.8180
H8	2.0719	1.0908	3.0627	3.1233	2.0124	1.8180	3.4137		3.9793
H9	2.0719	3.0627	1.0908	2.0124	3.1233	3.4137	1.8180	3.9793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.412	O1	C2	H6	109.772
O1	C2	H8	110.919	O1	C3	O5	74.412
O1	C3	H7	109.772	O1	C3	H9	110.919
C2	O1	C3	103.808	C2	O4	O5	39.785
C3	O5	O4	39.785	O4	C2	H6	97.464
O4	C2	H8	144.059	O5	C3	H7	97.464
O5	C3	H9	144.059	H6	C2	H8	112.581
H7	C3	H9	112.581

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)