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	hartrees
Energy at 0K	-303.375997
Energy at 298.15K	-303.382470
HF Energy	-302.469486
Nuclear repulsion energy	191.842956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3101	20.14
2	A'	3110	3014	44.61
3	A'	1513	1466	0.22
4	A'	1337	1295	0.45
5	A'	1236	1198	2.17
6	A'	1006	975	20.60
7	A'	953	924	18.43
8	A'	865	838	0.40
9	A'	850	824	1.30
10	A'	690	669	1.55
11	A'	407	394	4.34
12	A"	3180	3082	0.05
13	A"	3099	3004	15.25
14	A"	1495	1449	1.36
15	A"	1341	1300	0.27
16	A"	1222	1185	0.00
17	A"	1147	1112	0.21
18	A"	1021	990	0.24
19	A"	732	709	25.58
20	A"	658	638	21.67
21	A"	110	107	3.58

Atom	x (Å)	y (Å)	z (Å)
O1	-0.568	-1.048	0.000
O2	0.141	-0.492	1.106
O3	0.141	-0.492	-1.106
C4	0.141	0.900	0.779
C5	0.141	0.900	-0.779
H6	1.053	1.325	1.215
H7	1.053	1.325	-1.215
H8	-0.753	1.403	1.180
H9	-0.753	1.403	-1.180

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4264	1.4264	2.2142	2.2142	3.1199	3.1199	2.7264	2.7264
O2	1.4264		2.2126	1.4299	2.3435	2.0361	3.0858	2.0961	3.1011
O3	1.4264	2.2126		2.3435	1.4299	3.0858	2.0361	3.1011	2.0961
C4	2.2142	1.4299	2.3435		1.5581	1.0971	2.2338	1.1009	2.2114
C5	2.2142	2.3435	1.4299	1.5581		2.2338	1.0971	2.2114	1.1009
H6	3.1199	2.0361	3.0858	1.0971	2.2338		2.4300	1.8082	3.0010
H7	3.1199	3.0858	2.0361	2.2338	1.0971	2.4300		3.0010	1.8082
H8	2.7264	2.0961	3.1011	1.1009	2.2114	1.8082	3.0010		2.3607
H9	2.7264	3.1011	2.0961	2.2114	1.1009	3.0010	1.8082	2.3607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.651	O1	O3	C5	101.651
O2	O1	O3	101.718	O2	C4	C5	103.228
O2	C4	H6	106.624	O2	C4	H8	111.173
O3	C5	C4	103.228	O3	C5	H7	106.624
O3	C5	H9	111.173	C4	C5	H7	113.411
C4	C5	H9	111.375	C5	C4	H6	113.411
C5	C4	H8	111.375	H6	C4	H8	110.699
H7	C5	H9	110.699

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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: MP2=FULL/aug-cc-pVDZ

States and conformations

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