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	hartrees
Energy at 0K	-228.350484
Energy at 298.15K	-228.356211
Nuclear repulsion energy	130.621145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3094	2904	0.00
2	A_g	1646	1545	0.00
3	A_g	1157	1086	0.00
4	A_g	911	855	0.00
5	A_u	1158	1087	0.00
6	B_1g	1378	1294	0.00
7	B_1g	1074	1008	0.00
8	B_1u	3145	2951	132.67
9	B_1u	1212	1137	21.59
10	B_1u	160	150	17.94
11	B_2g	3140	2947	0.00
12	B_2g	1163	1092	0.00
13	B_2u	1491	1399	24.74
14	B_2u	1001	940	96.99
15	B_3g	1106	1038	0.00
16	B_3u	3081	2892	161.58
17	B_3u	1610	1512	21.73
18	B_3u	1125	1056	234.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.982	0.000	0.000
C2	0.982	0.000	0.000
O3	0.000	1.037	0.000
O4	0.000	-1.037	0.000
H5	-1.604	0.000	0.904
H6	1.604	0.000	0.904
H7	-1.604	0.000	-0.904
H8	1.604	0.000	-0.904

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9643	1.4281	1.4281	1.0969	2.7394	1.0969	2.7394
C2	1.9643		1.4281	1.4281	2.7394	1.0969	2.7394	1.0969
O3	1.4281	1.4281		2.0736	2.1128	2.1128	2.1128	2.1128
O4	1.4281	1.4281	2.0736		2.1128	2.1128	2.1128	2.1128
H5	1.0969	2.7394	2.1128	2.1128		3.2077	1.8075	3.6819
H6	2.7394	1.0969	2.1128	2.1128	3.2077		3.6819	1.8075
H7	1.0969	2.7394	2.1128	2.1128	1.8075	3.6819		3.2077
H8	2.7394	1.0969	2.1128	2.1128	3.6819	1.8075	3.2077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.900	C1	O4	C2	86.900
O3	C1	O4	93.100	O3	C1	H5	112.941
O3	C1	H7	112.941	O3	C2	O4	93.100
O3	C2	H6	112.941	O3	C2	H8	112.941
O4	C1	H5	112.941	O4	C1	H7	112.941
O4	C2	H6	112.941	O4	C2	H8	112.941
H5	C1	H7	110.949	H6	C2	H8	110.949

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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