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	hartrees
Energy at 0K	-228.348874
Energy at 298.15K	-228.354528
Nuclear repulsion energy	130.378336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3092	2913	0.00
2	A_g	1646	1551	0.00
3	A_g	1135	1069	0.00
4	A_g	877	826	0.00
5	A_u	1153	1087	0.00
6	B_1g	1373	1294	0.00
7	B_1g	1046	986	0.00
8	B_1u	3150	2968	135.18
9	B_1u	1203	1134	18.70
10	B_1u	133	125	16.89
11	B_2g	3146	2964	0.00
12	B_2g	1160	1093	0.00
13	B_2u	1480	1395	21.53
14	B_2u	970	914	97.49
15	B_3g	1086	1024	0.00
16	B_3u	3080	2902	174.19
17	B_3u	1610	1517	25.50
18	B_3u	1103	1040	234.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	0.000	0.000
C2	0.980	0.000	0.000
O3	0.000	1.043	0.000
O4	0.000	-1.043	0.000
H5	-1.602	0.000	0.904
H6	1.602	0.000	0.904
H7	-1.602	0.000	-0.904
H8	1.602	0.000	-0.904

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9608	1.4314	1.4314	1.0967	2.7358	1.0967	2.7358
C2	1.9608		1.4314	1.4314	2.7358	1.0967	2.7358	1.0967
O3	1.4314	1.4314		2.0858	2.1143	2.1143	2.1143	2.1143
O4	1.4314	1.4314	2.0858		2.1143	2.1143	2.1143	2.1143
H5	1.0967	2.7358	2.1143	2.1143		3.2037	1.8074	3.6783
H6	2.7358	1.0967	2.1143	2.1143	3.2037		3.6783	1.8074
H7	1.0967	2.7358	2.1143	2.1143	1.8074	3.6783		3.2037
H8	2.7358	1.0967	2.1143	2.1143	3.6783	1.8074	3.2037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.460	C1	O4	C2	86.460
O3	C1	O4	93.540	O3	C1	H5	112.837
O3	C1	H7	112.837	O3	C2	O4	93.540
O3	C2	H6	112.837	O3	C2	H8	112.837
O4	C1	H5	112.837	O4	C1	H7	112.837
O4	C2	H6	112.837	O4	C2	H8	112.837
H5	C1	H7	110.968	H6	C2	H8	110.968

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

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

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