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	hartrees
Energy at 0K	-227.731115
Energy at 298.15K	-227.737022
Nuclear repulsion energy	132.762212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3244	2915	0.00
2	A_g	1748	1571	0.00
3	A_g	1240	1114	0.00
4	A_g	988	887	0.00
5	A_u	1246	1120	0.00
6	B_1g	1483	1332	0.00
7	B_1g	1117	1004	0.00
8	B_1u	3293	2959	174.22
9	B_1u	1303	1171	35.29
10	B_1u	213	191	20.61
11	B_2g	3286	2953	0.00
12	B_2g	1236	1111	0.00
13	B_2u	1609	1446	51.00
14	B_2u	1082	972	137.76
15	B_3g	1217	1094	0.00
16	B_3u	3228	2901	203.35
17	B_3u	1709	1536	33.78
18	B_3u	1219	1095	319.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	0.000	0.000
C2	0.971	0.000	0.000
O3	0.000	1.015	0.000
O4	0.000	-1.015	0.000
H5	-1.586	0.000	0.892
H6	1.586	0.000	0.892
H7	-1.586	0.000	-0.892
H8	1.586	0.000	-0.892

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9411	1.4040	1.4040	1.0835	2.7073	1.0835	2.7073
C2	1.9411		1.4040	1.4040	2.7073	1.0835	2.7073	1.0835
O3	1.4040	1.4040		2.0290	2.0830	2.0830	2.0830	2.0830
O4	1.4040	1.4040	2.0290		2.0830	2.0830	2.0830	2.0830
H5	1.0835	2.7073	2.0830	2.0830		3.1712	1.7839	3.6385
H6	2.7073	1.0835	2.0830	2.0830	3.1712		3.6385	1.7839
H7	1.0835	2.7073	2.0830	2.0830	1.7839	3.6385		3.1712
H8	2.7073	1.0835	2.0830	2.0830	3.6385	1.7839	3.1712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.462	C1	O4	C2	87.462
O3	C1	O4	92.538	O3	C1	H5	113.106
O3	C1	H7	113.106	O3	C2	O4	92.538
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	110.821	H6	C2	H8	110.821

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.300
2	C	0.300
3	O	-0.626
4	O	-0.626
5	H	0.163
6	H	0.163
7	H	0.163
8	H	0.163

<r²>	55.594
(<r²>)^1/2	7.456

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

using model chemistry: HF/6-31G*

States and conformations

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