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	hartrees
Energy at 0K	-228.936813
Energy at 298.15K	-228.942397
HF Energy	-228.936813
Nuclear repulsion energy	128.991120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2913	2890	0.00
2	A_g	1568	1555	0.00
3	A_g	1063	1055	0.00
4	A_g	848	841	0.00
5	A_u	1081	1072	0.00
6	B_1g	1300	1289	0.00
7	B_1g	950	942	0.00
8	B_1u	2937	2913	201.72
9	B_1u	1138	1129	13.48
10	B_1u	161	160	11.64
11	B_2g	2933	2910	0.00
12	B_2g	1102	1093	0.00
13	B_2u	1412	1401	24.02
14	B_2u	888	880	84.50
15	B_3g	995	986	0.00
16	B_3u	2892	2869	249.85
17	B_3u	1527	1514	32.30
18	B_3u	1024	1015	223.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.984	0.000	0.000
C2	0.984	0.000	0.000
O3	0.000	1.050	0.000
O4	0.000	-1.050	0.000
H5	-1.621	0.000	0.909
H6	1.621	0.000	0.909
H7	-1.621	0.000	-0.909
H8	1.621	0.000	-0.909

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9670	1.4385	1.4385	1.1100	2.7583	1.1100	2.7583
C2	1.9670		1.4385	1.4385	2.7583	1.1100	2.7583	1.1100
O3	1.4385	1.4385		2.0996	2.1342	2.1342	2.1342	2.1342
O4	1.4385	1.4385	2.0996		2.1342	2.1342	2.1342	2.1342
H5	1.1100	2.7583	2.1342	2.1342		3.2415	1.8177	3.7164
H6	2.7583	1.1100	2.1342	2.1342	3.2415		3.7164	1.8177
H7	1.1100	2.7583	2.1342	2.1342	1.8177	3.7164		3.2415
H8	2.7583	1.1100	2.1342	2.1342	3.7164	1.8177	3.2415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.267	C1	O4	C2	86.267
O3	C1	O4	93.733	O3	C1	H5	113.111
O3	C1	H7	113.111	O3	C2	O4	93.733
O3	C2	H6	113.111	O3	C2	H8	113.111
O4	C1	H5	113.111	O4	C1	H7	113.111
O4	C2	H6	113.111	O4	C2	H8	113.111
H5	C1	H7	109.927	H6	C2	H8	109.927

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

using model chemistry: BLYP/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	0.192
2	C	0.192
3	O	-0.451
4	O	-0.451
5	H	0.130
6	H	0.130
7	H	0.130
8	H	0.130

<r²>	58.028
(<r²>)^1/2	7.618

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

using model chemistry: BLYP/6-31G*

States and conformations

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