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	hartrees
Energy at 0K	-301.272066
Energy at 298.15K	-301.278456
HF Energy	-300.777684
Nuclear repulsion energy	187.885387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3030	25.52
2	A'	3189	2968	17.49
3	A'	1628	1515	0.23
4	A'	1394	1298	0.07
5	A'	1273	1185	1.21
6	A'	1030	959	12.45
7	A'	963	896	2.49
8	A'	932	867	12.23
9	A'	905	842	0.49
10	A'	678	631	1.67
11	A'	349	325	5.43
12	A"	3235	3010	0.06
13	A"	3177	2957	21.49
14	A"	1610	1499	0.33
15	A"	1415	1317	14.24
16	A"	1311	1220	0.58
17	A"	1170	1089	0.02
18	A"	1041	969	14.75
19	A"	917	853	4.16
20	A"	728	678	8.24
21	A"	30	28	3.09

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	-1.113	0.000
O2	0.139	-0.488	1.140
O3	0.139	-0.488	-1.140
C4	0.139	0.927	0.786
C5	0.139	0.927	-0.786
H6	1.036	1.364	1.215
H7	1.036	1.364	-1.215
H8	-0.746	1.430	1.173
H9	-0.746	1.430	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4757	1.4757	2.2957	2.2957	3.1869	3.1869	2.8069	2.8069
O2	1.4757		2.2807	1.4592	2.3909	2.0595	3.1275	2.1124	3.1326
O3	1.4757	2.2807		2.3909	1.4592	3.1275	2.0595	3.1326	2.1124
C4	2.2957	1.4592	2.3909		1.5728	1.0858	2.2360	1.0887	2.2080
C5	2.2957	2.3909	1.4592	1.5728		2.2360	1.0858	2.2080	1.0887
H6	3.1869	2.0595	3.1275	1.0858	2.2360		2.4291	1.7841	2.9803
H7	3.1869	3.1275	2.0595	2.2360	1.0858	2.4291		2.9803	1.7841
H8	2.8069	2.1124	3.1326	1.0887	2.2080	1.7841	2.9803		2.3462
H9	2.8069	3.1326	2.1124	2.2080	1.0887	2.9803	1.7841	2.3462

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	102.924	O1	O3	C5	102.924
O2	O1	O3	101.198	O2	C4	C5	104.038
O2	C4	H6	107.124	O2	C4	H8	111.180
O3	C5	C4	104.038	O3	C5	H7	107.124
O3	C5	H9	111.180	C4	C5	H7	113.223
C4	C5	H9	110.806	C5	C4	H6	113.223
C5	C4	H8	110.806	H6	C4	H8	110.265
H7	C5	H9	110.265

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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