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	hartrees
Energy at 0K	-303.733908
Energy at 298.15K	-303.740483
HF Energy	-302.543318
Nuclear repulsion energy	193.738813

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3152	3020
2	A'	3089	2959
3	A'	1536	1472
4	A'	1359	1302
5	A'	1261	1208
6	A'	1035	992
7	A'	960	920
8	A'	897	859
9	A'	864	828
10	A'	707	677
11	A'	417	399
12	A"	3134	3003
13	A"	3076	2947
14	A"	1520	1456
15	A"	1366	1309
16	A"	1244	1192
17	A"	1166	1117
18	A"	1048	1004
19	A"	754	723
20	A"	712	682
21	A"	122	117

Atom	x (Å)	y (Å)	z (Å)
O1	-0.581	-1.045	0.000
O2	0.144	-0.486	1.110
O3	0.144	-0.486	-1.110
C4	0.144	0.893	0.772
C5	0.144	0.893	-0.772
H6	1.044	1.319	1.202
H7	1.044	1.319	-1.202
H8	-0.742	1.390	1.160
H9	-0.742	1.390	-1.160

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4389	1.4389	2.2093	2.2093	3.1108	3.1108	2.7020	2.7020
O2	1.4389		2.2191	1.4198	2.3331	2.0189	3.0677	2.0749	3.0747
O3	1.4389	2.2191		2.3331	1.4198	3.0677	2.0189	3.0747	2.0749
C4	2.2093	1.4198	2.3331		1.5445	1.0843	2.2111	1.0871	2.1830
C5	2.2093	2.3331	1.4198	1.5445		2.2111	1.0843	2.1830	1.0871
H6	3.1108	2.0189	3.0677	1.0843	2.2111		2.4041	1.7877	2.9621
H7	3.1108	3.0677	2.0189	2.2111	1.0843	2.4041		2.9621	1.7877
H8	2.7020	2.0749	3.0747	1.0871	2.1830	1.7877	2.9621		2.3203
H9	2.7020	3.0747	2.0749	2.1830	1.0871	2.9621	1.7877	2.3203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.214	O1	O3	C5	101.214
O2	O1	O3	100.907	O2	C4	C5	103.744
O2	C4	H6	106.690	O2	C4	H8	111.024
O3	C5	C4	103.744	O3	C5	H7	106.690
O3	C5	H9	111.024	C4	C5	H7	113.352
C4	C5	H9	110.904	C5	C4	H6	113.352
C5	C4	H8	110.904	H6	C4	H8	110.835
H7	C5	H9	110.835

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

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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