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	hartrees
Energy at 0K	-228.025183
Energy at 298.15K	-228.030665
Nuclear repulsion energy	125.392257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3120	2985	0.00
2	A_g	1623	1553	0.00
3	A_g	1006	963	0.00
4	A_g	787	753	0.00
5	A_u	1088	1041	0.00
6	B_1g	1334	1277	0.00
7	B_1g	913	874	0.00
8	B_1u	3201	3063	95.31
9	B_1u	1147	1098	18.01
10	B_1u	139	133	33.29
11	B_2g	3194	3056	0.00
12	B_2g	1106	1058	0.00
13	B_2u	1411	1350	3.93
14	B_2u	776	743	59.71
15	B_3g	1015	972	0.00
16	B_3u	3111	2976	96.51
17	B_3u	1593	1525	12.87
18	B_3u	938	897	160.95

Atom	x (Å)	y (Å)	z (Å)
C1	-1.043	0.000	0.000
C2	1.043	0.000	0.000
O3	0.000	1.080	0.000
O4	0.000	-1.080	0.000
H5	-1.646	0.000	0.911
H6	1.646	0.000	0.911
H7	-1.646	0.000	-0.911
H8	1.646	0.000	-0.911

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.0858	1.5011	1.5011	1.0929	2.8393	1.0929	2.8393
C2	2.0858		1.5011	1.5011	2.8393	1.0929	2.8393	1.0929
O3	1.5011	1.5011		2.1593	2.1694	2.1694	2.1694	2.1694
O4	1.5011	1.5011	2.1593		2.1694	2.1694	2.1694	2.1694
H5	1.0929	2.8393	2.1694	2.1694		3.2924	1.8226	3.7633
H6	2.8393	1.0929	2.1694	2.1694	3.2924		3.7633	1.8226
H7	1.0929	2.8393	2.1694	2.1694	1.8226	3.7633		3.2924
H8	2.8393	1.0929	2.1694	2.1694	3.7633	1.8226	3.2924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	88.016	C1	O4	C2	88.016
O3	C1	O4	91.984	O3	C1	H5	112.552
O3	C1	H7	112.552	O3	C2	O4	91.984
O3	C2	H6	112.552	O3	C2	H8	112.552
O4	C1	H5	112.552	O4	C1	H7	112.552
O4	C2	H6	112.552	O4	C2	H8	112.552
H5	C1	H7	112.987	H6	C2	H8	112.987

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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