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	hartrees
Energy at 0K	-227.737383
Energy at 298.15K	-227.743292
Nuclear repulsion energy	132.707675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3210	2898	0.00
2	A_g	1733	1564	0.00
3	A_g	1239	1118	0.00
4	A_g	987	891	0.00
5	A_u	1240	1119	0.00
6	B_1g	1477	1333	0.00
7	B_1g	1116	1007	0.00
8	B_1u	3258	2941	169.64
9	B_1u	1296	1170	34.28
10	B_1u	212	192	20.70
11	B_2g	3252	2935	0.00
12	B_2g	1229	1109	0.00
13	B_2u	1601	1445	46.06
14	B_2u	1080	975	138.13
15	B_3g	1212	1094	0.00
16	B_3u	3194	2883	210.53
17	B_3u	1694	1529	29.61
18	B_3u	1218	1099	320.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.971	0.000	0.000
C2	0.971	0.000	0.000
O3	0.000	1.014	0.000
O4	0.000	-1.014	0.000
H5	-1.588	0.000	0.893
H6	1.588	0.000	0.893
H7	-1.588	0.000	-0.893
H8	1.588	0.000	-0.893

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9421	1.4043	1.4043	1.0849	2.7100	1.0849	2.7100
C2	1.9421		1.4043	1.4043	2.7100	1.0849	2.7100	1.0849
O3	1.4043	1.4043		2.0288	2.0849	2.0849	2.0849	2.0849
O4	1.4043	1.4043	2.0288		2.0849	2.0849	2.0849	2.0849
H5	1.0849	2.7100	2.0849	2.0849		3.1754	1.7853	3.6428
H6	2.7100	1.0849	2.0849	2.0849	3.1754		3.6428	1.7853
H7	1.0849	2.7100	2.0849	2.0849	1.7853	3.6428		3.1754
H8	2.7100	1.0849	2.0849	2.0849	3.6428	1.7853	3.1754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.497	C1	O4	C2	87.497
O3	C1	O4	92.503	O3	C1	H5	113.143
O3	C1	H7	113.143	O3	C2	O4	92.503
O3	C2	H6	113.143	O3	C2	H8	113.143
O4	C1	H5	113.143	O4	C1	H7	113.143
O4	C2	H6	113.143	O4	C2	H8	113.143
H5	C1	H7	110.727	H6	C2	H8	110.727

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

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.417
2	C	0.417
3	O	-0.645
4	O	-0.645
5	H	0.114
6	H	0.114
7	H	0.114
8	H	0.114

<r²>	55.625
(<r²>)^1/2	7.458

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

using model chemistry: HF/6-31G**

States and conformations

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