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	hartrees
Energy at 0K	-303.516192
Energy at 298.15K	-303.522733
HF Energy	-302.534769
Nuclear repulsion energy	193.123220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3059	21.50
2	A'	3123	2975	41.22
3	A'	1546	1472	0.22
4	A'	1376	1311	0.01
5	A'	1265	1205	1.30
6	A'	1017	969	29.68
7	A'	963	918	12.72
8	A'	886	844	1.18
9	A'	878	836	2.07
10	A'	705	671	1.84
11	A'	414	394	4.77
12	A"	3194	3043	0.09
13	A"	3115	2967	18.76
14	A"	1527	1455	1.04
15	A"	1376	1311	0.33
16	A"	1231	1173	0.01
17	A"	1180	1124	0.04
18	A"	1045	996	0.63
19	A"	739	704	32.85
20	A"	705	672	12.14
21	A"	112	106	4.18

Atom	x (Å)	y (Å)	z (Å)
O1	-0.565	-1.041	0.000
O2	0.140	-0.489	1.103
O3	0.140	-0.489	-1.103
C4	0.140	0.895	0.775
C5	0.140	0.895	-0.775
H6	1.042	1.319	1.207
H7	1.042	1.319	-1.207
H8	-0.745	1.395	1.169
H9	-0.745	1.395	-1.169

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4207	1.4207	2.2013	2.2013	3.0999	3.0999	2.7082	2.7082
O2	1.4207		2.2060	1.4223	2.3329	2.0232	3.0691	2.0827	3.0816
O3	1.4207	2.2060		2.3329	1.4223	3.0691	2.0232	3.0816	2.0827
C4	2.2013	1.4223	2.3329		1.5500	1.0864	2.2187	1.0903	2.1939
C5	2.2013	2.3329	1.4223	1.5500		2.2187	1.0864	2.1939	1.0903
H6	3.0999	2.0232	3.0691	1.0864	2.2187		2.4144	1.7890	2.9743
H7	3.0999	3.0691	2.0232	2.2187	1.0864	2.4144		2.9743	1.7890
H8	2.7082	2.0827	3.0816	1.0903	2.1939	1.7890	2.9743		2.3383
H9	2.7082	3.0816	2.0827	2.1939	1.0903	2.9743	1.7890	2.3383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.479	O1	O3	C5	101.479
O2	O1	O3	101.860	O2	C4	C5	103.334
O2	C4	H6	106.739	O2	C4	H8	111.285
O3	C5	C4	103.334	O3	C5	H7	106.739
O3	C5	H9	111.285	C4	C5	H7	113.446
C4	C5	H9	111.192	C5	C4	H6	113.446
C5	C4	H8	111.192	H6	C4	H8	110.553
H7	C5	H9	110.553

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

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

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