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	hartrees
Energy at 0K	-224.981066
Energy at 298.15K	-224.986561
Nuclear repulsion energy	126.014180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	2886	0.00
2	A_g	1735	1512	0.00
3	A_g	1179	1028	0.00
4	A_g	897	782	0.00
5	A_u	1180	1029	0.00
6	B_1g	1416	1235	0.00
7	B_1g	1219	1063	0.00
8	B_1u	3419	2981	34.45
9	B_1u	1166	1017	26.83
10	B_1u	110	96	11.90
11	B_2g	3415	2977	0.00
12	B_2g	1105	964	0.00
13	B_2u	1528	1332	1.43
14	B_2u	1024	893	1.92
15	B_3g	1129	984	0.00
16	B_3u	3302	2879	26.27
17	B_3u	1707	1488	19.59
18	B_3u	1176	1025	46.04

Atom	x (Å)	y (Å)	z (Å)
C1	-1.016	0.000	0.000
C2	1.016	0.000	0.000
O3	0.000	1.081	0.000
O4	0.000	-1.081	0.000
H5	-1.666	0.000	0.914
H6	1.666	0.000	0.914
H7	-1.666	0.000	-0.914
H8	1.666	0.000	-0.914

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.0323	1.4834	1.4834	1.1212	2.8336	1.1212	2.8336
C2	2.0323		1.4834	1.4834	2.8336	1.1212	2.8336	1.1212
O3	1.4834	1.4834		2.1613	2.1860	2.1860	2.1860	2.1860
O4	1.4834	1.4834	2.1613		2.1860	2.1860	2.1860	2.1860
H5	1.1212	2.8336	2.1860	2.1860		3.3321	1.8274	3.8003
H6	2.8336	1.1212	2.1860	2.1860	3.3321		3.8003	1.8274
H7	1.1212	2.8336	2.1860	2.1860	1.8274	3.8003		3.3321
H8	2.8336	1.1212	2.1860	2.1860	3.8003	1.8274	3.3321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.475	C1	O4	C2	86.475
O3	C1	O4	93.525	O3	C1	H5	113.394
O3	C1	H7	113.394	O3	C2	O4	93.525
O3	C2	H6	113.394	O3	C2	H8	113.394
O4	C1	H5	113.394	O4	C1	H7	113.394
O4	C2	H6	113.394	O4	C2	H8	113.394
H5	C1	H7	109.152	H6	C2	H8	109.152

All results from a given calculation for C₂H₄O₂ (1,3-dioxetane)

using model chemistry: MP2/STO-3G

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 C2H4O2 (1,3-dioxetane)

using model chemistry: MP2/STO-3G

States and conformations

All results from a given calculation for C₂H₄O₂ (1,3-dioxetane)