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	hartrees
Energy at 0K	-303.392918
Energy at 298.15K	-303.399503
HF Energy	-302.471928
Nuclear repulsion energy	192.339942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3049	26.49
2	A'	3086	2973	48.05
3	A'	1518	1462	0.18
4	A'	1354	1304	0.01
5	A'	1243	1198	2.50
6	A'	1031	994	27.73
7	A'	959	924	16.82
8	A'	904	871	3.20
9	A'	863	831	0.58
10	A'	708	682	1.46
11	A'	416	401	3.94
12	A"	3145	3030	0.44
13	A"	3074	2961	19.55
14	A"	1499	1444	0.50
15	A"	1348	1299	1.16
16	A"	1229	1184	0.02
17	A"	1154	1112	0.08
18	A"	1032	994	2.03
19	A"	768	740	36.51
20	A"	724	697	0.01
21	A"	125	120	3.06

Atom	x (Å)	y (Å)	z (Å)
O1	-0.563	-1.048	0.000
O2	0.140	-0.493	1.103
O3	0.140	-0.493	-1.103
C4	0.140	0.901	0.780
C5	0.140	0.901	-0.780
H6	1.053	1.330	1.218
H7	1.053	1.330	-1.218
H8	-0.756	1.404	1.184
H9	-0.756	1.404	-1.184

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4210	1.4210	2.2140	2.2140	3.1225	3.1225	2.7297	2.7297
O2	1.4210		2.2067	1.4311	2.3434	2.0422	3.0896	2.0992	3.1037
O3	1.4210	2.2067		2.3434	1.4311	3.0896	2.0422	3.1037	2.0992
C4	2.2140	1.4311	2.3434		1.5605	1.0998	2.2385	1.1035	2.2166
C5	2.2140	2.3434	1.4311	1.5605		2.2385	1.0998	2.2166	1.1035
H6	3.1225	2.0422	3.0896	1.0998	2.2385		2.4360	1.8104	3.0078
H7	3.1225	3.0896	2.0422	2.2385	1.0998	2.4360		3.0078	1.8104
H8	2.7297	2.0992	3.1037	1.1035	2.2166	1.8104	3.0078		2.3683
H9	2.7297	3.1037	2.0992	2.2166	1.1035	3.0078	1.8104	2.3683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.842	O1	O3	C5	101.842
O2	O1	O3	101.875	O2	C4	C5	103.049
O2	C4	H6	106.861	O2	C4	H8	111.175
O3	C5	C4	103.049	O3	C5	H7	106.861
O3	C5	H9	111.175	C4	C5	H7	113.457
C4	C5	H9	111.472	C5	C4	H6	113.457
C5	C4	H8	111.472	H6	C4	H8	110.509
H7	C5	H9	110.509

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

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

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