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	hartrees
Energy at 0K	-303.706138
Energy at 298.15K	-303.712677
HF Energy	-302.566889
Nuclear repulsion energy	193.834306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3035	14.58
2	A'	3109	2952	41.25
3	A'	1532	1455	0.29
4	A'	1349	1281	0.64
5	A'	1252	1189	2.29
6	A'	1018	966	29.63
7	A'	964	916	11.70
8	A'	893	849	1.99
9	A'	870	826	0.40
10	A'	708	672	1.42
11	A'	413	392	4.41
12	A"	3179	3019	0.05
13	A"	3101	2945	12.92
14	A"	1516	1440	2.01
15	A"	1365	1296	0.60
16	A"	1240	1178	0.00
17	A"	1164	1106	0.15
18	A"	1042	990	0.46
19	A"	747	709	37.36
20	A"	709	674	9.36
21	A"	110	105	3.36

Atom	x (Å)	y (Å)	z (Å)
O1	-0.559	-1.042	0.000
O2	0.139	-0.488	1.098
O3	0.139	-0.488	-1.098
C4	0.139	0.894	0.773
C5	0.139	0.894	-0.773
H6	1.040	1.316	1.206
H7	1.040	1.316	-1.206
H8	-0.745	1.391	1.168
H9	-0.745	1.391	-1.168

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4144	1.4144	2.1987	2.1987	3.0939	3.0939	2.7060	2.7060
O2	1.4144		2.1959	1.4192	2.3260	2.0190	3.0613	2.0780	3.0738
O3	1.4144	2.1959		2.3260	1.4192	3.0613	2.0190	3.0738	2.0780
C4	2.1987	1.4192	2.3260		1.5466	1.0851	2.2151	1.0887	2.1906
C5	2.1987	2.3260	1.4192	1.5466		2.2151	1.0851	2.1906	1.0887
H6	3.0939	2.0190	3.0613	1.0851	2.2151		2.4114	1.7876	2.9714
H7	3.0939	3.0613	2.0190	2.2151	1.0851	2.4114		2.9714	1.7876
H8	2.7060	2.0780	3.0738	1.0887	2.1906	1.7876	2.9714		2.3363
H9	2.7060	3.0738	2.0780	2.1906	1.0887	2.9714	1.7876	2.3363

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.780	O1	O3	C5	101.780
O2	O1	O3	101.838	O2	C4	C5	103.223
O2	C4	H6	106.693	O2	C4	H8	111.217
O3	C5	C4	103.223	O3	C5	H7	106.693
O3	C5	H9	111.217	C4	C5	H7	113.485
C4	C5	H9	111.266	C5	C4	H6	113.485
C5	C4	H8	111.266	H6	C4	H8	110.641
H7	C5	H9	110.641

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

using model chemistry: MP2/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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