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	hartrees
Energy at 0K	-44.647778
Energy at 298.15K	-44.653666
Nuclear repulsion energy	73.796853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3264	2931	0.00
2	A_g	1721	1545	0.00
3	A_g	1237	1111	0.00
4	A_g	978	878	0.00
5	A_u	1230	1104	0.00
6	B_1g	1466	1316	0.00
7	B_1g	1121	1006	0.00
8	B_1u	3318	2980	210.94
9	B_1u	1282	1151	37.61
10	B_1u	206	185	27.96
11	B_2g	3312	2974	0.00
12	B_2g	1215	1091	0.00
13	B_2u	1593	1431	68.74
14	B_2u	1087	976	162.86
15	B_3g	1201	1078	0.00
16	B_3u	3250	2918	280.82
17	B_3u	1685	1513	26.54
18	B_3u	1219	1095	326.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.978	0.000	0.000
C2	0.978	0.000	0.000
O3	0.000	1.021	0.000
O4	0.000	-1.021	0.000
H5	-1.595	0.000	0.899
H6	1.595	0.000	0.899
H7	-1.595	0.000	-0.899
H8	1.595	0.000	-0.899

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9563	1.4137	1.4137	1.0903	2.7254	1.0903	2.7254
C2	1.9563		1.4137	1.4137	2.7254	1.0903	2.7254	1.0903
O3	1.4137	1.4137		2.0412	2.0960	2.0960	2.0960	2.0960
O4	1.4137	1.4137	2.0412		2.0960	2.0960	2.0960	2.0960
H5	1.0903	2.7254	2.0960	2.0960		3.1891	1.7987	3.6614
H6	2.7254	1.0903	2.0960	2.0960	3.1891		3.6614	1.7987
H7	1.0903	2.7254	2.0960	2.0960	1.7987	3.6614		3.1891
H8	2.7254	1.0903	2.0960	2.0960	3.6614	1.7987	3.1891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.567	C1	O4	C2	87.567
O3	C1	O4	92.433	O3	C1	H5	113.028
O3	C1	H7	113.028	O3	C2	O4	92.433
O3	C2	H6	113.028	O3	C2	H8	113.028
O4	C1	H5	113.028	O4	C1	H7	113.028
O4	C2	H6	113.028	O4	C2	H8	113.028
H5	C1	H7	111.149	H6	C2	H8	111.149

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	0.066
2	C	0.066
3	O	-0.346
4	O	-0.346
5	H	0.140
6	H	0.140
7	H	0.140
8	H	0.140

<r²>	48.117
(<r²>)^1/2	6.937

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)