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	hartrees
Energy at 0K	-45.222380
Energy at 298.15K	-45.227982
Nuclear repulsion energy	72.271919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3088	2932	0.00
2	A_g	1603	1521	0.00
3	A_g	1112	1056	0.00
4	A_g	856	813	0.00
5	A_u	1128	1071	0.00
6	B_1g	1348	1280	0.00
7	B_1g	1029	977	0.00
8	B_1u	3163	3003	144.75
9	B_1u	1173	1113	16.96
10	B_1u	123	117	26.24
11	B_2g	3159	2999	0.00
12	B_2g	1129	1072	0.00
13	B_2u	1450	1376	26.64
14	B_2u	958	910	126.66
15	B_3g	1061	1007	0.00
16	B_3u	3078	2922	232.40
17	B_3u	1569	1490	16.94
18	B_3u	1086	1031	233.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.991	0.000	0.000
C2	0.991	0.000	0.000
O3	0.000	1.054	0.000
O4	0.000	-1.054	0.000
H5	-1.610	0.000	0.916
H6	1.610	0.000	0.916
H7	-1.610	0.000	-0.916
H8	1.610	0.000	-0.916

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9811	1.4462	1.4462	1.1063	2.7575	1.1063	2.7575
C2	1.9811		1.4462	1.4462	2.7575	1.1063	2.7575	1.1063
O3	1.4462	1.4462		2.1075	2.1314	2.1314	2.1314	2.1314
O4	1.4462	1.4462	2.1075		2.1314	2.1314	2.1314	2.1314
H5	1.1063	2.7575	2.1314	2.1314		3.2204	1.8330	3.7055
H6	2.7575	1.1063	2.1314	2.1314	3.2204		3.7055	1.8330
H7	1.1063	2.7575	2.1314	2.1314	1.8330	3.7055		3.2204
H8	2.7575	1.1063	2.1314	2.1314	3.7055	1.8330	3.2204

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.458	C1	O4	C2	86.458
O3	C1	O4	93.542	O3	C1	H5	112.558
O3	C1	H7	112.558	O3	C2	O4	93.542
O3	C2	H6	112.558	O3	C2	H8	112.558
O4	C1	H5	112.558	O4	C1	H7	112.558
O4	C2	H6	112.558	O4	C2	H8	112.558
H5	C1	H7	111.875	H6	C2	H8	111.875

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

using model chemistry: MP2/CEP-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 C2H4O2 (1,3-dioxetane)

using model chemistry: MP2/CEP-31G*

States and conformations

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