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	hartrees
Energy at 0K	-302.917709
Energy at 298.15K	-302.923723
HF Energy	-302.349325
Nuclear repulsion energy	183.206572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3071	35.19
2	A'	3093	2979	44.62
3	A'	1539	1482	0.66
4	A'	1337	1288	1.13
5	A'	1188	1144	2.27
6	A'	956	921	1.20
7	A'	871	839	0.06
8	A'	846	815	15.51
9	A'	744	716	1.76
10	A'	617	594	1.52
11	A'	320	309	5.57
12	A"	3168	3051	0.17
13	A"	3083	2969	23.28
14	A"	1527	1470	3.21
15	A"	1346	1296	0.03
16	A"	1224	1179	0.00
17	A"	1120	1078	0.35
18	A"	918	884	0.40
19	A"	677	652	30.63
20	A"	629	606	15.05
21	A"	26	25	3.73

Atom	x (Å)	y (Å)	z (Å)
O1	-0.541	-1.123	0.000
O2	0.135	-0.490	1.139
O3	0.135	-0.490	-1.139
C4	0.135	0.935	0.792
C5	0.135	0.935	-0.792
H6	1.036	1.370	1.234
H7	1.036	1.370	-1.234
H8	-0.760	1.433	1.188
H9	-0.760	1.433	-1.188

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4682	1.4682	2.3067	2.3067	3.1980	3.1980	2.8275	2.8275
O2	1.4682		2.2777	1.4659	2.3998	2.0685	3.1468	2.1212	3.1484
O3	1.4682	2.2777		2.3998	1.4659	3.1468	2.0685	3.1484	2.1212
C4	2.3067	1.4659	2.3998		1.5850	1.0940	2.2606	1.0978	2.2298
C5	2.3067	2.3998	1.4659	1.5850		2.2606	1.0940	2.2298	1.0978
H6	3.1980	2.0685	3.1468	1.0940	2.2606		2.4689	1.7976	3.0164
H7	3.1980	3.1468	2.0685	2.2606	1.0940	2.4689		3.0164	1.7976
H8	2.8275	2.1212	3.1484	1.0978	2.2298	1.7976	3.0164		2.3765
H9	2.8275	3.1484	2.1212	2.2298	1.0978	3.0164	1.7976	2.3765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.655	O1	O3	C5	103.655
O2	O1	O3	101.731	O2	C4	C5	103.667
O2	C4	H6	106.909	O2	C4	H8	110.849
O3	C5	C4	103.667	O3	C5	H7	106.909
O3	C5	H9	110.849	C4	C5	H7	113.828
C4	C5	H9	111.131	C5	C4	H6	113.828
C5	C4	H8	111.131	H6	C4	H8	110.195
H7	C5	H9	110.195

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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