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	hartrees
Energy at 0K	-303.322683
Energy at 298.15K	-303.329270
HF Energy	-302.446204
Nuclear repulsion energy	192.654740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3043	32.29
2	A'	3089	2964	47.53
3	A'	1519	1457	0.16
4	A'	1358	1303	0.88
5	A'	1250	1199	2.03
6	A'	1043	1001	35.47
7	A'	960	921	11.61
8	A'	894	858	2.47
9	A'	865	829	1.28
10	A'	713	684	1.79
11	A'	416	399	3.98
12	A"	3154	3026	0.60
13	A"	3077	2952	29.17
14	A"	1501	1440	0.02
15	A"	1355	1300	1.28
16	A"	1228	1179	0.02
17	A"	1163	1116	0.01
18	A"	1051	1008	2.49
19	A"	763	732	31.47
20	A"	720	691	4.62
21	A"	129	124	3.89

Atom	x (Å)	y (Å)	z (Å)
O1	-0.561	-1.045	0.000
O2	0.139	-0.492	1.104
O3	0.139	-0.492	-1.104
C4	0.139	0.896	0.780
C5	0.139	0.896	-0.780
H6	1.053	1.327	1.219
H7	1.053	1.327	-1.219
H8	-0.756	1.408	1.180
H9	-0.756	1.408	-1.180

	O1	O2	O3	C4	C5	H6	H7	H8	H9
O1		1.4191	1.4191	2.2059	2.2059	3.1172	3.1172	2.7289	2.7289
O2	1.4191		2.2073	1.4256	2.3399	2.0391	3.0885	2.1019	3.1026
O3	1.4191	2.2073		2.3399	1.4256	3.0885	2.0391	3.1026	2.1019
C4	2.2059	1.4256	2.3399		1.5597	1.1014	2.2395	1.1059	2.2143
C5	2.2059	2.3399	1.4256	1.5597		2.2395	1.1014	2.2143	1.1059
H6	3.1172	2.0391	3.0885	1.1014	2.2395		2.4378	1.8107	3.0051
H7	3.1172	3.0885	2.0391	2.2395	1.1014	2.4378		3.0051	1.8107
H8	2.7289	2.1019	3.1026	1.1059	2.2143	1.8107	3.0051		2.3596
H9	2.7289	3.1026	2.1019	2.2143	1.1059	3.0051	1.8107	2.3596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	O2	C4	101.690	O1	O3	C5	101.690
O2	O1	O3	102.104	O2	C4	C5	103.127
O2	C4	H6	106.895	O2	C4	H8	111.636
O3	C5	C4	103.127	O3	C5	H7	106.895
O3	C5	H9	111.636	C4	C5	H7	113.492
C4	C5	H9	111.202	C5	C4	H6	113.492
C5	C4	H8	111.202	H6	C4	H8	110.234
H7	C5	H9	110.234

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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