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	hartrees
Energy at 0K	-228.394960
Energy at 298.15K	-228.400667
Nuclear repulsion energy	130.481572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	2912	0.00
2	A_g	1648	1551	0.00
3	A_g	1140	1073	0.00
4	A_g	900	847	0.00
5	A_u	1152	1085	0.00
6	B_1g	1375	1294	0.00
7	B_1g	1051	989	0.00
8	B_1u	3141	2957	151.80
9	B_1u	1208	1137	22.94
10	B_1u	153	144	16.53
11	B_2g	3137	2953	0.00
12	B_2g	1162	1093	0.00
13	B_2u	1489	1402	29.19
14	B_2u	980	923	92.80
15	B_3g	1089	1025	0.00
16	B_3u	3078	2898	191.55
17	B_3u	1611	1517	31.86
18	B_3u	1109	1044	231.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.983	0.000	0.000
C2	0.983	0.000	0.000
O3	0.000	1.039	0.000
O4	0.000	-1.039	0.000
H5	-1.605	0.000	0.900
H6	1.605	0.000	0.900
H7	-1.605	0.000	-0.900
H8	1.605	0.000	-0.900

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9669	1.4306	1.4306	1.0939	2.7405	1.0939	2.7405
C2	1.9669		1.4306	1.4306	2.7405	1.0939	2.7405	1.0939
O3	1.4306	1.4306		2.0779	2.1132	2.1132	2.1132	2.1132
O4	1.4306	1.4306	2.0779		2.1132	2.1132	2.1132	2.1132
H5	1.0939	2.7405	2.1132	2.1132		3.2099	1.8005	3.6804
H6	2.7405	1.0939	2.1132	2.1132	3.2099		3.6804	1.8005
H7	1.0939	2.7405	2.1132	2.1132	1.8005	3.6804		3.2099
H8	2.7405	1.0939	2.1132	2.1132	3.6804	1.8005	3.2099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.857	C1	O4	C2	86.857
O3	C1	O4	93.143	O3	C1	H5	112.989
O3	C1	H7	112.989	O3	C2	O4	93.143
O3	C2	H6	112.989	O3	C2	H8	112.989
O4	C1	H5	112.989	O4	C1	H7	112.989
O4	C2	H6	112.989	O4	C2	H8	112.989
H5	C1	H7	110.761	H6	C2	H8	110.761

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

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

States and conformations

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