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	hartrees
Energy at 0K	-303.296209
Energy at 298.15K	-303.302787
HF Energy	-302.429772
Nuclear repulsion energy	192.539983

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3214	3026	35.40
2	A'	3136	2952	42.98
3	A'	1576	1484	0.60
4	A'	1388	1307	1.36
5	A'	1269	1195	1.09
6	A'	1044	983	31.02
7	A'	970	913	12.93
8	A'	907	854	2.63
9	A'	884	833	1.22
10	A'	711	669	1.49
11	A'	415	391	4.17
12	A"	3198	3010	0.30
13	A"	3126	2943	27.09
14	A"	1558	1467	0.04
15	A"	1383	1302	2.50
16	A"	1258	1184	0.04
17	A"	1181	1111	0.00
18	A"	1053	991	3.28
19	A"	770	725	36.79
20	A"	731	688	0.00
21	A"	118	111	3.66

Atom	x (Å)	y (Å)	z (Å)
O1	-0.566	-1.049	0.000
O2	0.140	-0.491	1.106
O3	0.140	-0.491	-1.106
C4	0.140	0.899	0.777
C5	0.140	0.899	-0.777
H6	1.042	1.325	1.212
H7	1.042	1.325	-1.212
H8	-0.743	1.405	1.173
H9	-0.743	1.405	-1.173

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4263	1.4263	2.2129	2.2129	3.1131	3.1131	2.7254	2.7254
O2	1.4263		2.2121	1.4279	2.3402	2.0300	3.0796	2.0923	3.0931
O3	1.4263	2.2121		2.3402	1.4279	3.0796	2.0300	3.0931	2.0923
C4	2.2129	1.4279	2.3402		1.5541	1.0882	2.2253	1.0922	2.1997
C5	2.2129	2.3402	1.4279	1.5541		2.2253	1.0882	2.1997	1.0922
H6	3.1131	2.0300	3.0796	1.0882	2.2253		2.4244	1.7873	2.9802
H7	3.1131	3.0796	2.0300	2.2253	1.0882	2.4244		2.9802	1.7873
H8	2.7254	2.0923	3.0931	1.0922	2.1997	1.7873	2.9802		2.3459
H9	2.7254	3.0931	2.0923	2.1997	1.0922	2.9802	1.7873	2.3459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.663	O1	O3	C5	101.663
O2	O1	O3	101.689	O2	C4	C5	103.320
O2	C4	H6	106.787	O2	C4	H8	111.554
O3	C5	C4	103.320	O3	C5	H7	106.787
O3	C5	H9	111.554	C4	C5	H7	113.570
C4	C5	H9	111.252	C5	C4	H6	113.570
C5	C4	H8	111.252	H6	C4	H8	110.111
H7	C5	H9	110.111

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

using model chemistry: QCISD/6-31G**

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: QCISD/6-31G**

States and conformations

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