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	hartrees
Energy at 0K	-303.554505
Energy at 298.15K	-303.561312
HF Energy	-302.550801
Nuclear repulsion energy	197.254894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3164	2997	0.98
2	A	3081	2919	0.51
3	A	1567	1485	0.00
4	A	1464	1387	12.40
5	A	1263	1197	3.59
6	A	1180	1118	0.03
7	A	1102	1044	37.52
8	A	1017	963	48.61
9	A	891	844	14.03
10	A	773	732	0.35
11	A	392	372	5.94
12	B	3164	2997	41.79
13	B	3079	2917	113.72
14	B	1554	1472	5.15
15	B	1404	1330	4.07
16	B	1253	1188	5.06
17	B	1173	1111	13.18
18	B	1146	1085	182.34
19	B	1001	948	2.56
20	B	732	693	2.50
21	B	165	157	15.84

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.184
C2	0.000	1.114	0.318
C3	0.000	-1.114	0.318
O4	-0.380	-0.613	-0.942
O5	0.380	0.613	-0.942
H6	-1.000	1.557	0.277
H7	1.000	-1.557	0.277
H8	0.757	1.841	0.616
H9	-0.757	-1.841	0.616

	O1	C2	C3	O4	O5	H6	H7	H8	H9
O1		1.4112	1.4112	2.2451	2.2451	2.0615	2.0615	2.0704	2.0704
C2	1.4112		2.2278	2.1708	1.4083	1.0952	2.8529	1.0914	3.0650
C3	1.4112	2.2278		1.4083	2.1708	2.8529	1.0952	3.0650	1.0914
O4	2.2451	2.1708	1.4083		1.4422	2.5650	2.0702	3.1211	2.0193
O5	2.2451	1.4083	2.1708	1.4422		2.0702	2.5650	2.0193	3.1211
H6	2.0615	1.0952	2.8529	2.5650	2.0702		3.7023	1.8125	3.4240
H7	2.0615	2.8529	1.0952	2.0702	2.5650	3.7023		3.4240	1.8125
H8	2.0704	1.0914	3.0650	3.1211	2.0193	1.8125	3.4240		3.9816
H9	2.0704	3.0650	1.0914	2.0193	3.1211	3.4240	1.8125	3.9816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	74.247	O1	C2	H6	110.037
O1	C2	H8	111.003	O1	C3	O5	74.247
O1	C3	H7	110.037	O1	C3	H9	111.003
C2	O1	C3	104.252	C2	O4	O5	39.820
C3	O5	O4	39.820	O4	C2	H6	98.065
O4	C2	H8	144.086	O5	C3	H7	98.065
O5	C3	H9	144.086	H6	C2	H8	111.982
H7	C3	H9	111.982

All results from a given calculation for C₂H₄O₃ (trioxolane124)

using model chemistry: QCISD/6-31G(2df,p)

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 (trioxolane124)

using model chemistry: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄O₃ (trioxolane124)