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	hartrees
Energy at 0K	-303.617998
Energy at 298.15K	-303.624646
HF Energy	-302.545251
Nuclear repulsion energy	194.175551

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3027	25.82
2	A'	3093	2955	46.92
3	A'	1542	1473	0.17
4	A'	1374	1313	0.11
5	A'	1266	1210	2.18
6	A'	1054	1007	34.08
7	A'	969	926	12.30
8	A'	944	902	4.02
9	A'	873	834	0.76
10	A'	723	691	1.49
11	A'	420	402	3.88
12	A"	3150	3010	0.70
13	A"	3081	2944	22.17
14	A"	1524	1456	0.55
15	A"	1377	1316	1.80
16	A"	1250	1195	0.01
17	A"	1177	1125	0.07
18	A"	1061	1014	2.91
19	A"	814	778	34.53
20	A"	745	712	3.65
21	A"	124	118	3.25

Atom	x (Å)	y (Å)	z (Å)
O1	-0.557	-1.041	0.000
O2	0.138	-0.489	1.098
O3	0.138	-0.489	-1.098
C4	0.138	0.894	0.774
C5	0.138	0.894	-0.774
H6	1.039	1.321	1.206
H7	1.039	1.321	-1.206
H8	-0.746	1.394	1.169
H9	-0.746	1.394	-1.169

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4116	1.4116	2.1967	2.1967	3.0954	3.0954	2.7082	2.7082
O2	1.4116		2.1950	1.4199	2.3269	2.0248	3.0651	2.0819	3.0767
O3	1.4116	2.1950		2.3269	1.4199	3.0651	2.0248	3.0767	2.0819
C4	2.1967	1.4199	2.3269		1.5483	1.0865	2.2171	1.0903	2.1928
C5	2.1967	2.3269	1.4199	1.5483		2.2171	1.0865	2.1928	1.0903
H6	3.0954	2.0248	3.0651	1.0865	2.2171		2.4124	1.7868	2.9719
H7	3.0954	3.0651	2.0248	2.2171	1.0865	2.4124		2.9719	1.7868
H8	2.7082	2.0819	3.0767	1.0903	2.1928	1.7868	2.9719		2.3377
H9	2.7082	3.0767	2.0819	2.1928	1.0903	2.9719	1.7868	2.3377

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.760	O1	O3	C5	101.760
O2	O1	O3	102.067	O2	C4	C5	103.165
O2	C4	H6	107.021	O2	C4	H8	111.397
O3	C5	C4	103.165	O3	C5	H7	107.021
O3	C5	H9	111.397	C4	C5	H7	113.431
C4	C5	H9	111.224	C5	C4	H6	113.431
C5	C4	H8	111.224	H6	C4	H8	110.334
H7	C5	H9	110.334

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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