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	hartrees
Energy at 0K	-228.362193
Energy at 298.15K	-228.367881
Nuclear repulsion energy	130.316083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3059	2913	0.00
2	A_g	1634	1556	0.00
3	A_g	1138	1084	0.00
4	A_g	897	855	0.00
5	A_u	1144	1090	0.00
6	B_1g	1363	1298	0.00
7	B_1g	1049	999	0.00
8	B_1u	3105	2957	145.08
9	B_1u	1202	1144	20.45
10	B_1u	150	143	17.39
11	B_2g	3101	2953	0.00
12	B_2g	1155	1100	0.00
13	B_2u	1474	1404	24.79
14	B_2u	978	931	96.21
15	B_3g	1084	1032	0.00
16	B_3u	3045	2899	177.15
17	B_3u	1598	1522	25.26
18	B_3u	1108	1055	231.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.984	0.000	0.000
C2	0.984	0.000	0.000
O3	0.000	1.040	0.000
O4	0.000	-1.040	0.000
H5	-1.607	0.000	0.906
H6	1.607	0.000	0.906
H7	-1.607	0.000	-0.906
H8	1.607	0.000	-0.906

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9679	1.4315	1.4315	1.0995	2.7449	1.0995	2.7449
C2	1.9679		1.4315	1.4315	2.7449	1.0995	2.7449	1.0995
O3	1.4315	1.4315		2.0794	2.1176	2.1176	2.1176	2.1176
O4	1.4315	1.4315	2.0794		2.1176	2.1176	2.1176	2.1176
H5	1.0995	2.7449	2.1176	2.1176		3.2142	1.8117	3.6897
H6	2.7449	1.0995	2.1176	2.1176	3.2142		3.6897	1.8117
H7	1.0995	2.7449	2.1176	2.1176	1.8117	3.6897		3.2142
H8	2.7449	1.0995	2.1176	2.1176	3.6897	1.8117	3.2142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.845	C1	O4	C2	86.845
O3	C1	O4	93.155	O3	C1	H5	112.928
O3	C1	H7	112.928	O3	C2	O4	93.155
O3	C2	H6	112.928	O3	C2	H8	112.928
O4	C1	H5	112.928	O4	C1	H7	112.928
O4	C2	H6	112.928	O4	C2	H8	112.928
H5	C1	H7	110.950	H6	C2	H8	110.950

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)