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	hartrees
Energy at 0K	-303.704478
Energy at 298.15K	-303.711011
HF Energy	-302.548540
Nuclear repulsion energy	193.988608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3193	3037	14.31
2	A'	3118	2966	42.51
3	A'	1548	1473	0.28
4	A'	1366	1299	0.57
5	A'	1265	1204	2.22
6	A'	1024	975	27.82
7	A'	970	923	13.51
8	A'	893	849	1.74
9	A'	879	836	0.55
10	A'	709	675	1.41
11	A'	413	393	4.39
12	A"	3174	3019	0.16
13	A"	3108	2957	13.02
14	A"	1529	1455	2.17
15	A"	1374	1307	0.58
16	A"	1259	1198	0.01
17	A"	1163	1106	0.15
18	A"	1044	993	0.40
19	A"	747	711	35.34
20	A"	706	672	11.53
21	A"	98	93	3.40

Atom	x (Å)	y (Å)	z (Å)
O1	-0.562	-1.040	0.000
O2	0.139	-0.487	1.097
O3	0.139	-0.487	-1.097
C4	0.139	0.892	0.772
C5	0.139	0.892	-0.772
H6	1.041	1.314	1.200
H7	1.041	1.314	-1.200
H8	-0.744	1.389	1.165
H9	-0.744	1.389	-1.165

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4146	1.4146	2.1957	2.1957	3.0907	3.0907	2.7002	2.7002
O2	1.4146		2.1943	1.4176	2.3229	2.0173	3.0554	2.0752	3.0692
O3	1.4146	2.1943		2.3229	1.4176	3.0554	2.0173	3.0692	2.0752
C4	2.1957	1.4176	2.3229		1.5431	1.0839	2.2086	1.0874	2.1860
C5	2.1957	2.3229	1.4176	1.5431		2.2086	1.0839	2.1860	1.0874
H6	3.0907	2.0173	3.0554	1.0839	2.2086		2.3997	1.7875	2.9643
H7	3.0907	3.0554	2.0173	2.2086	1.0839	2.3997		2.9643	1.7875
H8	2.7002	2.0752	3.0692	1.0874	2.1860	1.7875	2.9643		2.3304
H9	2.7002	3.0692	2.0752	2.1860	1.0874	2.9643	1.7875	2.3304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.659	O1	O3	C5	101.659
O2	O1	O3	101.715	O2	C4	C5	103.278
O2	C4	H6	106.739	O2	C4	H8	111.188
O3	C5	C4	103.278	O3	C5	H7	106.739
O3	C5	H9	111.188	C4	C5	H7	113.275
C4	C5	H9	111.223	C5	C4	H6	113.275
C5	C4	H8	111.223	H6	C4	H8	110.815
H7	C5	H9	110.815

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

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