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	hartrees
Energy at 0K	-303.246994
Energy at 298.15K	-303.253797
HF Energy	-302.503107
Nuclear repulsion energy	196.475882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3028	35.21
2	A'	3195	2956	46.99
3	A'	1611	1491	0.15
4	A'	1444	1336	0.29
5	A'	1326	1227	2.50
6	A'	1133	1048	40.14
7	A'	1033	956	22.23
8	A'	1010	934	6.04
9	A'	907	840	0.60
10	A'	779	721	2.94
11	A'	435	403	4.77
12	A"	3255	3012	0.67
13	A"	3182	2944	27.36
14	A"	1593	1474	0.59
15	A"	1435	1328	2.24
16	A"	1310	1212	0.00
17	A"	1230	1138	0.08
18	A"	1133	1049	4.75
19	A"	949	878	22.83
20	A"	791	732	8.65
21	A"	130	120	3.58

Atom	x (Å)	y (Å)	z (Å)
O1	-0.545	-1.033	0.000
O2	0.135	-0.486	1.082
O3	0.135	-0.486	-1.082
C4	0.135	0.889	0.771
C5	0.135	0.889	-0.771
H6	1.033	1.310	1.209
H7	1.033	1.310	-1.209
H8	-0.750	1.375	1.174
H9	-0.750	1.375	-1.174

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.3901	1.3901	2.1794	2.1794	3.0724	3.0724	2.6862	2.6862
O2	1.3901		2.1645	1.4100	2.3080	2.0122	3.0470	2.0629	3.0558
O3	1.3901	2.1645		2.3080	1.4100	3.0470	2.0122	3.0558	2.0629
C4	2.1794	1.4100	2.3080		1.5425	1.0837	2.2147	1.0870	2.1916
C5	2.1794	2.3080	1.4100	1.5425		2.2147	1.0837	2.1916	1.0870
H6	3.0724	2.0122	3.0470	1.0837	2.2147		2.4187	1.7837	2.9767
H7	3.0724	3.0470	2.0122	2.2147	1.0837	2.4187		2.9767	1.7837
H8	2.6862	2.0629	3.0558	1.0870	2.1916	1.7837	2.9767		2.3480
H9	2.6862	3.0558	2.0629	2.1916	1.0870	2.9767	1.7837	2.3480

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.215	O1	O3	C5	102.215
O2	O1	O3	102.254	O2	C4	C5	102.742
O2	C4	H6	106.865	O2	C4	H8	110.744
O3	C5	C4	102.742	O3	C5	H7	106.865
O3	C5	H9	110.744	C4	C5	H7	113.846
C4	C5	H9	111.748	C5	C4	H6	113.846
C5	C4	H8	111.748	H6	C4	H8	110.516
H7	C5	H9	110.516

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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