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	hartrees
Energy at 0K	-44.520959
Energy at 298.15K	-44.526794
Nuclear repulsion energy	72.156961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3315	2989	0.00
2	A_g	1698	1531	0.00
3	A_g	1155	1041	0.00
4	A_g	951	857	0.00
5	A_u	1193	1075	0.00
6	B_1g	1434	1292	0.00
7	B_1g	1057	953	0.00
8	B_1u	3400	3064	158.88
9	B_1u	1242	1119	33.53
10	B_1u	214	193	53.69
11	B_2g	3391	3057	0.00
12	B_2g	1175	1059	0.00
13	B_2u	1531	1380	21.44
14	B_2u	969	874	143.11
15	B_3g	1163	1048	0.00
16	B_3u	3303	2977	205.10
17	B_3u	1670	1505	5.89
18	B_3u	1123	1012	247.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.023	0.000	0.000
C2	1.023	0.000	0.000
O3	0.000	1.038	0.000
O4	0.000	-1.038	0.000
H5	-1.624	0.000	0.901
H6	1.624	0.000	0.901
H7	-1.624	0.000	-0.901
H8	1.624	0.000	-0.901

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.0467	1.4576	1.4576	1.0824	2.7962	1.0824	2.7962
C2	2.0467		1.4576	1.4576	2.7962	1.0824	2.7962	1.0824
O3	1.4576	1.4576		2.0758	2.1272	2.1272	2.1272	2.1272
O4	1.4576	1.4576	2.0758		2.1272	2.1272	2.1272	2.1272
H5	1.0824	2.7962	2.1272	2.1272		3.2477	1.8011	3.7137
H6	2.7962	1.0824	2.1272	2.1272	3.2477		3.7137	1.8011
H7	1.0824	2.7962	2.1272	2.1272	1.8011	3.7137		3.2477
H8	2.7962	1.0824	2.1272	2.1272	3.7137	1.8011	3.2477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	89.189	C1	O4	C2	89.189
O3	C1	O4	90.811	O3	C1	H5	112.925
O3	C1	H7	112.925	O3	C2	O4	90.811
O3	C2	H6	112.925	O3	C2	H8	112.925
O4	C1	H5	112.925	O4	C1	H7	112.925
O4	C2	H6	112.925	O4	C2	H8	112.925
H5	C1	H7	112.605	H6	C2	H8	112.605

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	0.074
2	C	0.074
3	O	-0.401
4	O	-0.401
5	H	0.163
6	H	0.163
7	H	0.163
8	H	0.163

<r²>	49.984
(<r²>)^1/2	7.070

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

using model chemistry: HF/CEP-31G

States and conformations

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