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	hartrees
Energy at 0K	-303.781990
Energy at 298.15K
HF Energy	-302.545854
Nuclear repulsion energy	192.937497

Atom	x (Å)	y (Å)	z (Å)
O1	-0.586	-1.050	0.000
O2	0.145	-0.486	1.116
O3	0.145	-0.486	-1.116
C4	0.145	0.897	0.773
C5	0.145	0.897	-0.773
H6	1.050	1.319	1.203
H7	1.050	1.319	-1.203
H8	-0.744	1.391	1.164
H9	-0.744	1.391	-1.164

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4485	1.4485	2.2190	2.2190	3.1209	3.1209	2.7091	2.7091
O2	1.4485		2.2316	1.4249	2.3410	2.0214	3.0749	2.0775	3.0840
O3	1.4485	2.2316		2.3410	1.4249	3.0749	2.0214	3.0840	2.0775
C4	2.2190	1.4249	2.3410		1.5461	1.0873	2.2141	1.0896	2.1878
C5	2.2190	2.3410	1.4249	1.5461		2.2141	1.0873	2.1878	1.0896
H6	3.1209	2.0214	3.0749	1.0873	2.2141		2.4060	1.7959	2.9709
H7	3.1209	3.0749	2.0214	2.2141	1.0873	2.4060		2.9709	1.7959
H8	2.7091	2.0775	3.0840	1.0896	2.1878	1.7959	2.9709		2.3279
H9	2.7091	3.0840	2.0775	2.1878	1.0896	2.9709	1.7959	2.3279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.114	O1	O3	C5	101.114
O2	O1	O3	100.758	O2	C4	C5	103.918
O2	C4	H6	106.374	O2	C4	H8	110.718
O3	C5	C4	103.918	O3	C5	H7	106.374
O3	C5	H9	110.718	C4	C5	H7	113.293
C4	C5	H9	111.024	C5	C4	H6	113.293
C5	C4	H8	111.024	H6	C4	H8	111.171
H7	C5	H9	111.171

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

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: MP4=FULL/aug-cc-pVTZ

States and conformations

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