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	hartrees
Energy at 0K	-228.851925
Energy at 298.15K	-228.857977
Nuclear repulsion energy	132.764598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3244	3057	0.00
2	A_g	1748	1647	0.00
3	A_g	1240	1169	0.00
4	A_g	988	930	0.00
5	A_u	1246	1174	0.00
6	B_1g	1483	1397	0.00
7	B_1g	1117	1053	0.00
8	B_1u	3293	3102	174.22
9	B_1u	1303	1227	35.29
10	B_1u	213	201	20.61
11	B_2g	3286	3096	0.00
12	B_2g	1236	1165	0.00
13	B_2u	1609	1516	51.00
14	B_2u	1082	1019	137.76
15	B_3g	1217	1147	0.00
16	B_3u	3228	3042	203.35
17	B_3u	1709	1611	33.78
18	B_3u	1219	1149	319.05

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	87.466	C1	O4	C2	87.466
O3	C1	O4	92.534	O3	C1	H5	113.106
O3	C1	H7	113.106	O3	C2	O4	92.534
O3	C2	H6	113.106	O3	C2	H8	113.106
O4	C1	H5	113.106	O4	C1	H7	113.106
O4	C2	H6	113.106	O4	C2	H8	113.106
H5	C1	H7	110.823	H6	C2	H8	110.823

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

using model chemistry: G3

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: G3

States and conformations

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