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	hartrees
Energy at 0K	-303.687641
Energy at 298.15K	-303.682356
HF Energy	-302.422591
Nuclear repulsion energy	197.469776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3328	3328	43.76
2	A'	3253	3253	47.64
3	A'	1665	1665	0.53
4	A'	1500	1500	1.69
5	A'	1365	1365	2.69
6	A'	1192	1192	47.17
7	A'	1068	1068	34.81
8	A'	1027	1027	10.51
9	A'	930	930	0.77
10	A'	814	814	3.96
11	A'	428	428	4.87
12	A"	3308	3308	0.87
13	A"	3239	3239	34.24
14	A"	1645	1645	0.02
15	A"	1488	1488	2.55
16	A"	1357	1357	0.02
17	A"	1274	1274	0.16
18	A"	1181	1181	9.67
19	A"	1027	1027	12.51
20	A"	827	827	9.74
21	A"	137	137	3.11

Atom	x (Å)	y (Å)	z (Å)
O1	-0.517	-1.046	0.000
O2	0.129	-0.481	1.076
O3	0.129	-0.481	-1.076
C4	0.129	0.891	0.772
C5	0.129	0.891	-0.772
H6	1.022	1.315	1.213
H7	1.022	1.315	-1.213
H8	-0.757	1.369	1.178
H9	-0.757	1.369	-1.178

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.3766	1.3766	2.1831	2.1831	3.0686	3.0686	2.6978	2.6978
O2	1.3766		2.1529	1.4058	2.3022	2.0111	3.0441	2.0540	3.0483
O3	1.3766	2.1529		2.3022	1.4058	3.0441	2.0111	3.0483	2.0540
C4	2.1831	1.4058	2.3022		1.5439	1.0827	2.2175	1.0853	2.1945
C5	2.1831	2.3022	1.4058	1.5439		2.2175	1.0827	2.1945	1.0853
H6	3.0686	2.0111	3.0441	1.0827	2.2175		2.4257	1.7800	2.9807
H7	3.0686	3.0441	2.0111	2.2175	1.0827	2.4257		2.9807	1.7800
H8	2.6978	2.0540	3.0483	1.0853	2.1945	1.7800	2.9807		2.3564
H9	2.6978	3.0483	2.0540	2.1945	1.0853	2.9807	1.7800	2.3564

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	103.358	O1	O3	C5	103.358
O2	O1	O3	102.876	O2	C4	C5	102.508
O2	C4	H6	107.113	O2	C4	H8	110.422
O3	C5	C4	102.508	O3	C5	H7	107.113
O3	C5	H9	110.422	C4	C5	H7	114.030
C4	C5	H9	111.983	C5	C4	H6	114.030
C5	C4	H8	111.983	H6	C4	H8	110.382
H7	C5	H9	110.382

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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