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	hartrees
Energy at 0K	-303.433430
Energy at 298.15K	-303.439844
HF Energy	-302.466015
Nuclear repulsion energy	190.671887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3158	3085
2	A'	3081	3010
3	A'	1556	1520
4	A'	1363	1331
5	A'	1250	1222
6	A'	1013	990
7	A'	954	932
8	A'	877	857
9	A'	846	826
10	A'	688	672
11	A'	406	397
12	A"	3142	3069
13	A"	3072	3001
14	A"	1540	1504
15	A"	1362	1330
16	A"	1239	1211
17	A"	1168	1141
18	A"	1031	1008
19	A"	733	716
20	A"	670	654
21	A"	109	106

Atom	x (Å)	y (Å)	z (Å)
O1	-0.604	-1.055	0.000
O2	0.150	-0.494	1.128
O3	0.150	-0.494	-1.128
C4	0.150	0.906	0.781
C5	0.150	0.906	-0.781
H6	1.068	1.327	1.222
H7	1.068	1.327	-1.222
H8	-0.751	1.404	1.180
H9	-0.751	1.404	-1.180

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4681	1.4681	2.2418	2.2418	3.1561	3.1561	2.7318	2.7318
O2	1.4681		2.2558	1.4425	2.3671	2.0410	3.1109	2.1015	3.1209
O3	1.4681	2.2558		2.3671	1.4425	3.1109	2.0410	3.1209	2.1015
C4	2.2418	1.4425	2.3671		1.5615	1.1018	2.2427	1.1040	2.2145
C5	2.2418	2.3671	1.4425	1.5615		2.2427	1.1018	2.2145	1.1040
H6	3.1561	2.0410	3.1109	1.1018	2.2427		2.4436	1.8212	3.0139
H7	3.1561	3.1109	2.0410	2.2427	1.1018	2.4436		3.0139	1.8212
H8	2.7318	2.1015	3.1209	1.1040	2.2145	1.8212	3.0139		2.3599
H9	2.7318	3.1209	2.1015	2.2145	1.1040	3.0139	1.8212	2.3599

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	100.742	O1	O3	C5	100.742
O2	O1	O3	100.397	O2	C4	C5	103.924
O2	C4	H6	105.898	O2	C4	H8	110.522
O3	C5	C4	103.924	O3	C5	H7	105.898
O3	C5	H9	110.522	C4	C5	H7	113.596
C4	C5	H9	111.196	C5	C4	H6	113.596
C5	C4	H8	111.196	H6	C4	H8	111.304
H7	C5	H9	111.304

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)

using model chemistry: MP4/aug-cc-pVDZ

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 (1,2,3-trioxolane)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄O₃ (1,2,3-trioxolane)