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	hartrees
Energy at 0K	-303.546242
Energy at 298.15K	-303.552886
HF Energy	-302.536876
Nuclear repulsion energy	193.688658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3018	27.87
2	A'	3107	2944	45.22
3	A'	1554	1473	0.23
4	A'	1393	1320	0.35
5	A'	1275	1208	1.41
6	A'	1049	994	33.79
7	A'	968	917	13.19
8	A'	932	883	4.49
9	A'	882	835	1.00
10	A'	722	684	2.05
11	A'	422	400	4.36
12	A"	3168	3002	0.57
13	A"	3097	2934	22.70
14	A"	1536	1455	0.35
15	A"	1385	1313	1.01
16	A"	1243	1178	0.00
17	A"	1188	1126	0.00
18	A"	1061	1005	2.78
19	A"	805	763	31.88
20	A"	739	700	2.58
21	A"	126	119	3.63

Atom	x (Å)	y (Å)	z (Å)
O1	-0.562	-1.041	0.000
O2	0.140	-0.490	1.099
O3	0.140	-0.490	-1.099
C4	0.140	0.895	0.775
C5	0.140	0.895	-0.775
H6	1.041	1.322	1.209
H7	1.041	1.322	-1.209
H8	-0.746	1.394	1.172
H9	-0.746	1.394	-1.172

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4156	1.4156	2.2003	2.2003	3.1006	3.1006	2.7090	2.7090
O2	1.4156		2.1982	1.4224	2.3306	2.0268	3.0694	2.0836	3.0812
O3	1.4156	2.1982		2.3306	1.4224	3.0694	2.0268	3.0812	2.0836
C4	2.2003	1.4224	2.3306		1.5506	1.0876	2.2205	1.0915	2.1968
C5	2.2003	2.3306	1.4224	1.5506		2.2205	1.0876	2.1968	1.0915
H6	3.1006	2.0268	3.0694	1.0876	2.2205		2.4171	1.7891	2.9777
H7	3.1006	3.0694	2.0268	2.2205	1.0876	2.4171		2.9777	1.7891
H8	2.7090	2.0836	3.0812	1.0915	2.1968	1.7891	2.9777		2.3440
H9	2.7090	3.0812	2.0836	2.1968	1.0915	2.9777	1.7891	2.3440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.664	O1	O3	C5	101.664
O2	O1	O3	101.871	O2	C4	C5	103.158
O2	C4	H6	106.951	O2	C4	H8	111.281
O3	C5	C4	103.158	O3	C5	H7	106.951
O3	C5	H9	111.281	C4	C5	H7	113.474
C4	C5	H9	111.312	C5	C4	H6	113.474
C5	C4	H8	111.312	H6	C4	H8	110.380
H7	C5	H9	110.380

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

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

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