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	hartrees
Energy at 0K	-225.893060
Energy at 298.15K	-225.898261
Nuclear repulsion energy	123.647864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3062	2833	0.00
2	A_g	1634	1512	0.00
3	A_g	1068	988	0.00
4	A_g	824	762	0.00
5	A_u	1070	990	0.00
6	B_1g	1286	1190	0.00
7	B_1g	1084	1003	0.00
8	B_1u	3146	2911	66.78
9	B_1u	1075	995	10.90
10	B_1u	57	53	9.86
11	B_2g	3142	2907	0.00
12	B_2g	1032	955	0.00
13	B_2u	1419	1312	0.16
14	B_2u	919	850	3.82
15	B_3g	967	895	0.00
16	B_3u	3044	2817	66.02
17	B_3u	1601	1482	22.54
18	B_3u	1048	970	55.58

Atom	x (Å)	y (Å)	z (Å)
C1	-1.035	0.000	0.000
C2	1.035	0.000	0.000
O3	0.000	1.105	0.000
O4	0.000	-1.105	0.000
H5	-1.693	0.000	0.922
H6	1.693	0.000	0.922
H7	-1.693	0.000	-0.922
H8	1.693	0.000	-0.922

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.0702	1.5143	1.5143	1.1325	2.8796	1.1325	2.8796
C2	2.0702		1.5143	1.5143	2.8796	1.1325	2.8796	1.1325
O3	1.5143	1.5143		2.2105	2.2221	2.2221	2.2221	2.2221
O4	1.5143	1.5143	2.2105		2.2221	2.2221	2.2221	2.2221
H5	1.1325	2.8796	2.2221	2.2221		3.3861	1.8435	3.8554
H6	2.8796	1.1325	2.2221	2.2221	3.3861		3.8554	1.8435
H7	1.1325	2.8796	2.2221	2.2221	1.8435	3.8554		3.3861
H8	2.8796	1.1325	2.2221	2.2221	3.8554	1.8435	3.3861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.244	C1	O4	C2	86.244
O3	C1	O4	93.756	O3	C1	H5	113.400
O3	C1	H7	113.400	O3	C2	O4	93.756
O3	C2	H6	113.400	O3	C2	H8	113.400
O4	C1	H5	113.400	O4	C1	H7	113.400
O4	C2	H6	113.400	O4	C2	H8	113.400
H5	C1	H7	108.958	H6	C2	H8	108.958

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.018
2	C	0.018
3	O	-0.166
4	O	-0.166
5	H	0.074
6	H	0.074
7	H	0.074
8	H	0.074

<r²>	60.732
(<r²>)^1/2	7.793

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

using model chemistry: BLYP/STO-3G

States and conformations

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