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	hartrees
Energy at 0K	-303.474614
Energy at 298.15K	-303.481261
HF Energy	-302.457757
Nuclear repulsion energy	194.166576

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3022	24.05
2	A'	3112	2949	36.49
3	A'	1547	1466	0.22
4	A'	1378	1305	0.14
5	A'	1271	1204	1.55
6	A'	1051	995	34.39
7	A'	973	922	10.08
8	A'	933	884	2.18
9	A'	875	829	0.56
10	A'	729	691	1.43
11	A'	427	405	3.96
12	A"	3172	3005	0.27
13	A"	3102	2939	22.01
14	A"	1531	1450	0.04
15	A"	1381	1308	2.33
16	A"	1253	1187	0.02
17	A"	1182	1120	0.03
18	A"	1061	1005	2.80
19	A"	792	750	33.85
20	A"	744	705	1.22
21	A"	131	124	3.13

Atom	x (Å)	y (Å)	z (Å)
O1	-0.568	-1.031	0.000
O2	0.141	-0.492	1.094
O3	0.141	-0.492	-1.094
C4	0.141	0.892	0.776
C5	0.141	0.892	-0.776
H6	1.045	1.317	1.212
H7	1.045	1.317	-1.212
H8	-0.745	1.396	1.174
H9	-0.745	1.396	-1.174

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4104	1.4104	2.1919	2.1919	3.0960	3.0960	2.7018	2.7018
O2	1.4104		2.1873	1.4203	2.3267	2.0262	3.0669	2.0868	3.0810
O3	1.4104	2.1873		2.3267	1.4203	3.0669	2.0262	3.0810	2.0868
C4	2.1919	1.4203	2.3267		1.5527	1.0900	2.2250	1.0936	2.2007
C5	2.1919	2.3267	1.4203	1.5527		2.2250	1.0900	2.2007	1.0936
H6	3.0960	2.0262	3.0669	1.0900	2.2250		2.4233	1.7919	2.9838
H7	3.0960	3.0669	2.0262	2.2250	1.0900	2.4233		2.9838	1.7919
H8	2.7018	2.0868	3.0810	1.0936	2.2007	1.7919	2.9838		2.3489
H9	2.7018	3.0810	2.0868	2.2007	1.0936	2.9838	1.7919	2.3489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.487	O1	O3	C5	101.487
O2	O1	O3	101.689	O2	C4	C5	102.908
O2	C4	H6	106.901	O2	C4	H8	111.563
O3	C5	C4	102.908	O3	C5	H7	106.901
O3	C5	H9	111.563	C4	C5	H7	113.539
C4	C5	H9	111.347	C5	C4	H6	113.539
C5	C4	H8	111.347	H6	C4	H8	110.301
H7	C5	H9	110.301

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

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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