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	hartrees
Energy at 0K	-228.453396
Energy at 298.15K	-228.459146
Nuclear repulsion energy	131.109550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3049	2912	0.00
2	A_g	1620	1547	0.00
3	A_g	1165	1112	0.00
4	A_g	923	882	0.00
5	A_u	1158	1106	0.00
6	B_1g	1378	1316	0.00
7	B_1g	1074	1025	0.00
8	B_1u	3098	2959	137.68
9	B_1u	1205	1151	24.00
10	B_1u	166	158	16.86
11	B_2g	3095	2956	0.00
12	B_2g	1150	1098	0.00
13	B_2u	1486	1420	24.05
14	B_2u	1007	961	103.49
15	B_3g	1109	1060	0.00
16	B_3u	3036	2899	188.44
17	B_3u	1585	1514	13.55
18	B_3u	1128	1078	241.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.977	0.000	0.000
C2	0.977	0.000	0.000
O3	0.000	1.033	0.000
O4	0.000	-1.033	0.000
H5	-1.598	0.000	0.906
H6	1.598	0.000	0.906
H7	-1.598	0.000	-0.906
H8	1.598	0.000	-0.906

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9543	1.4216	1.4216	1.0983	2.7297	1.0983	2.7297
C2	1.9543		1.4216	1.4216	2.7297	1.0983	2.7297	1.0983
O3	1.4216	1.4216		2.0651	2.1072	2.1072	2.1072	2.1072
O4	1.4216	1.4216	2.0651		2.1072	2.1072	2.1072	2.1072
H5	1.0983	2.7297	2.1072	2.1072		3.1957	1.8120	3.6737
H6	2.7297	1.0983	2.1072	2.1072	3.1957		3.6737	1.8120
H7	1.0983	2.7297	2.1072	2.1072	1.8120	3.6737		3.1957
H8	2.7297	1.0983	2.1072	2.1072	3.6737	1.8120	3.1957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.840	C1	O4	C2	86.840
O3	C1	O4	93.160	O3	C1	H5	112.860
O3	C1	H7	112.860	O3	C2	O4	93.160
O3	C2	H6	112.860	O3	C2	H8	112.860
O4	C1	H5	112.860	O4	C1	H7	112.860
O4	C2	H6	112.860	O4	C2	H8	112.860
H5	C1	H7	111.168	H6	C2	H8	111.168

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

using model chemistry: CCD/6-311G*

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: CCD/6-311G*

States and conformations

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