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	hartrees
Energy at 0K	-60.618288
Energy at 298.15K	-60.624375
HF Energy	-60.041780
Nuclear repulsion energy	102.938773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3067	35.83
2	A'	3043	2970	36.92
3	A'	1525	1489	0.68
4	A'	1345	1313	0.19
5	A'	1184	1155	1.71
6	A'	959	936	1.79
7	A'	858	837	1.24
8	A'	855	834	18.26
9	A'	749	731	1.86
10	A'	613	598	1.75
11	A'	329	321	5.38
12	A"	3121	3046	0.19
13	A"	3032	2959	22.56
14	A"	1511	1474	2.29
15	A"	1350	1318	0.09
16	A"	1206	1177	0.03
17	A"	1116	1089	0.41
18	A"	925	903	0.17
19	A"	670	654	27.46
20	A"	623	608	16.74
21	A"	39	38	4.02

Atom	x (Å)	y (Å)	z (Å)
O1	-0.547	-1.118	0.000
O2	0.136	-0.491	1.138
O3	0.136	-0.491	-1.138
C4	0.136	0.934	0.793
C5	0.136	0.934	-0.793
H6	1.037	1.366	1.234
H7	1.037	1.366	-1.234
H8	-0.757	1.430	1.190
H9	-0.757	1.430	-1.190

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4687	1.4687	2.3038	2.3038	3.1948	3.1948	2.8207	2.8207
O2	1.4687		2.2767	1.4660	2.3998	2.0661	3.1447	2.1193	3.1480
O3	1.4687	2.2767		2.3998	1.4660	3.1447	2.0661	3.1480	2.1193
C4	2.3038	1.4660	2.3998		1.5855	1.0923	2.2599	1.0964	2.2306
C5	2.3038	2.3998	1.4660	1.5855		2.2599	1.0923	2.2306	1.0964
H6	3.1948	2.0661	3.1447	1.0923	2.2599		2.4686	1.7956	3.0165
H7	3.1948	3.1447	2.0661	2.2599	1.0923	2.4686		3.0165	1.7956
H8	2.8207	2.1193	3.1480	1.0964	2.2306	1.7956	3.0165		2.3800
H9	2.8207	3.1480	2.1193	2.2306	1.0964	3.0165	1.7956	2.3800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.449	O1	O3	C5	103.449
O2	O1	O3	101.630	O2	C4	C5	103.636
O2	C4	H6	106.822	O2	C4	H8	110.774
O3	C5	C4	103.636	O3	C5	H7	106.822
O3	C5	H9	110.774	C4	C5	H7	113.842
C4	C5	H9	111.240	C5	C4	H6	113.842
C5	C4	H8	111.240	H6	C4	H8	110.245
H7	C5	H9	110.245

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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