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	hartrees
Energy at 0K	-44.939191
Energy at 298.15K	-44.944612
Nuclear repulsion energy	69.899441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3040	2967	0.00
2	A_g	1562	1524	0.00
3	A_g	988	965	0.00
4	A_g	785	766	0.00
5	A_u	1058	1033	0.00
6	B_1g	1324	1292	0.00
7	B_1g	911	890	0.00
8	B_1u	3140	3065	93.17
9	B_1u	1122	1095	16.92
10	B_1u	103	101	37.42
11	B_2g	3135	3059	0.00
12	B_2g	1074	1048	0.00
13	B_2u	1400	1366	9.89
14	B_2u	784	765	82.30
15	B_3g	983	959	0.00
16	B_3u	3031	2959	134.89
17	B_3u	1532	1495	7.08
18	B_3u	939	917	173.19

Atom	x (Å)	y (Å)	z (Å)
C1	-1.051	0.000	0.000
C2	1.051	0.000	0.000
O3	0.000	1.087	0.000
O4	0.000	-1.087	0.000
H5	-1.650	0.000	0.920
H6	1.650	0.000	0.920
H7	-1.650	0.000	-0.920
H8	1.650	0.000	-0.920

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.1020	1.5119	1.5119	1.0980	2.8538	1.0980	2.8538
C2	2.1020		1.5119	1.5119	2.8538	1.0980	2.8538	1.0980
O3	1.5119	1.5119		2.1737	2.1798	2.1798	2.1798	2.1798
O4	1.5119	1.5119	2.1737		2.1798	2.1798	2.1798	2.1798
H5	1.0980	2.8538	2.1798	2.1798		3.3009	1.8399	3.7791
H6	2.8538	1.0980	2.1798	2.1798	3.3009		3.7791	1.8399
H7	1.0980	2.8538	2.1798	2.1798	1.8399	3.7791		3.3009
H8	2.8538	1.0980	2.1798	2.1798	3.7791	1.8399	3.3009

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	88.077	C1	O4	C2	88.077
O3	C1	O4	91.923	O3	C1	H5	112.304
O3	C1	H7	112.304	O3	C2	O4	91.923
O3	C2	H6	112.304	O3	C2	H8	112.304
O4	C1	H5	112.304	O4	C1	H7	112.304
O4	C2	H6	112.304	O4	C2	H8	112.304
H5	C1	H7	113.819	H6	C2	H8	113.819

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

using model chemistry: MP2/CEP-121G

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-121G

States and conformations

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