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	hartrees
Energy at 0K	-304.126379
Energy at 298.15K	-304.132914
HF Energy	-304.126379
Nuclear repulsion energy	193.616727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	2993	2977	0.61
2	A	2910	2894	0.63
3	A	1483	1475	0.02
4	A	1375	1368	8.71
5	A	1172	1166	1.61
6	A	1107	1101	0.47
7	A	983	978	10.47
8	A	903	898	69.73
9	A	774	770	3.11
10	A	707	703	2.51
11	A	365	363	5.02
12	B	2992	2975	51.23
13	B	2907	2891	160.02
14	B	1470	1462	4.05
15	B	1324	1317	3.82
16	B	1167	1160	5.10
17	B	1100	1094	9.07
18	B	1026	1020	151.55
19	B	863	858	10.72
20	B	672	668	0.77
21	B	154	153	11.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.202
C2	0.000	1.132	0.323
C3	0.000	-1.132	0.323
O4	-0.386	-0.643	-0.958
O5	0.386	0.643	-0.958
H6	-1.009	1.588	0.299
H7	1.009	-1.588	0.299
H8	0.771	1.861	0.623
H9	-0.771	-1.861	0.623

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4337	1.4337	2.2872	2.2872	2.0871	2.0871	2.0962	2.0962
C2	1.4337		2.2639	2.2225	1.4243	1.1073	2.9011	1.1031	3.1053
C3	1.4337	2.2639		1.4243	2.2225	2.9011	1.1073	3.1053	1.1031
O4	2.2872	2.2225	1.4243		1.4997	2.6355	2.1021	3.1794	2.0328
O5	2.2872	1.4243	2.2225	1.4997		2.1021	2.6355	2.0328	3.1794
H6	2.0871	1.1073	2.9011	2.6355	2.1021		3.7627	1.8299	3.4723
H7	2.0871	2.9011	1.1073	2.1021	2.6355	3.7627		3.4723	1.8299
H8	2.0962	1.1031	3.1053	3.1794	2.0328	1.8299	3.4723		4.0290
H9	2.0962	3.1053	1.1031	2.0328	3.1794	3.4723	1.8299	4.0290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	73.930	O1	C2	H6	109.774
O1	C2	H8	110.772	O1	C3	O5	73.930
O1	C3	H7	109.774	O1	C3	H9	110.772
C2	O1	C3	104.280	C2	O4	O5	39.279
C3	O5	O4	39.279	O4	C2	H6	99.121
O4	C2	H8	143.714	O5	C3	H7	99.121
O5	C3	H9	143.714	H6	C2	H8	111.759
H7	C3	H9	111.759

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.188
2	C	0.024
3	C	0.024
4	O	-0.142
5	O	-0.142
6	H	0.095
7	H	0.095
8	H	0.117
9	H	0.117

	x	y	z
x	4.357	0.252	0.000
y	0.252	6.435	0.000
z	0.000	0.000	4.336

<r²>	85.662
(<r²>)^1/2	9.255

All results from a given calculation for C2H4O3 (trioxolane124)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)