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	hartrees
Energy at 0K	-228.275688
Energy at 298.15K	-228.281480
Nuclear repulsion energy	131.524822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3162	2921	0.00
2	A_g	1683	1554	0.00
3	A_g	1195	1104	0.00
4	A_g	936	864	0.00
5	A_u	1190	1099	0.00
6	B_1g	1416	1308	0.00
7	B_1g	1098	1014	0.00
8	B_1u	3213	2968	139.67
9	B_1u	1244	1149	24.96
10	B_1u	175	161	18.94
11	B_2g	3208	2963	0.00
12	B_2g	1190	1099	0.00
13	B_2u	1533	1416	32.13
14	B_2u	1035	956	110.88
15	B_3g	1144	1056	0.00
16	B_3u	3147	2907	172.95
17	B_3u	1646	1521	25.01
18	B_3u	1167	1078	262.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.976	0.000	0.000
C2	0.976	0.000	0.000
O3	0.000	1.028	0.000
O4	0.000	-1.028	0.000
H5	-1.595	0.000	0.898
H6	1.595	0.000	0.898
H7	-1.595	0.000	-0.898
H8	1.595	0.000	-0.898

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9528	1.4178	1.4178	1.0911	2.7243	1.0911	2.7243
C2	1.9528		1.4178	1.4178	2.7243	1.0911	2.7243	1.0911
O3	1.4178	1.4178		2.0561	2.0999	2.0999	2.0999	2.0999
O4	1.4178	1.4178	2.0561		2.0999	2.0999	2.0999	2.0999
H5	1.0911	2.7243	2.0999	2.0999		3.1910	1.7970	3.6622
H6	2.7243	1.0911	2.0999	2.0999	3.1910		3.6622	1.7970
H7	1.0911	2.7243	2.0999	2.0999	1.7970	3.6622		3.1910
H8	2.7243	1.0911	2.0999	2.0999	3.6622	1.7970	3.1910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.047	C1	O4	C2	87.047
O3	C1	O4	92.953	O3	C1	H5	112.999
O3	C1	H7	112.999	O3	C2	O4	92.953
O3	C2	H6	112.999	O3	C2	H8	112.999
O4	C1	H5	112.999	O4	C1	H7	112.999
O4	C2	H6	112.999	O4	C2	H8	112.999
H5	C1	H7	110.866	H6	C2	H8	110.866

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

using model chemistry: CID/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: CID/6-31G*

States and conformations

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