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	hartrees
Energy at 0K	-229.004819
Energy at 298.15K	-229.010382
Nuclear repulsion energy	128.962263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2899	2888	0.00
2	A_g	1534	1528	0.00
3	A_g	1046	1042	0.00
4	A_g	850	847	0.00
5	A_u	1076	1072	0.00
6	B_1g	1290	1285	0.00
7	B_1g	927	924	0.00
8	B_1u	2925	2913	191.19
9	B_1u	1126	1122	14.64
10	B_1u	148	147	12.53
11	B_2g	2922	2911	0.00
12	B_2g	1078	1074	0.00
13	B_2u	1387	1382	14.53
14	B_2u	873	870	94.40
15	B_3g	995	991	0.00
16	B_3u	2880	2869	259.46
17	B_3u	1496	1490	19.92
18	B_3u	1005	1001	227.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.994	0.000	0.000
C2	0.994	0.000	0.000
O3	0.000	1.052	0.000
O4	0.000	-1.052	0.000
H5	-1.622	0.000	0.911
H6	1.622	0.000	0.911
H7	-1.622	0.000	-0.911
H8	1.622	0.000	-0.911

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9888	1.4477	1.4477	1.1059	2.7702	1.1059	2.7702
C2	1.9888		1.4477	1.4477	2.7702	1.1059	2.7702	1.1059
O3	1.4477	1.4477		2.1043	2.1370	2.1370	2.1370	2.1370
O4	1.4477	1.4477	2.1043		2.1370	2.1370	2.1370	2.1370
H5	1.1059	2.7702	2.1370	2.1370		3.2437	1.8214	3.7201
H6	2.7702	1.1059	2.1370	2.1370	3.2437		3.7201	1.8214
H7	1.1059	2.7702	2.1370	2.1370	1.8214	3.7201		3.2437
H8	2.7702	1.1059	2.1370	2.1370	3.7201	1.8214	3.2437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.767	C1	O4	C2	86.767
O3	C1	O4	93.233	O3	C1	H5	112.936
O3	C1	H7	112.936	O3	C2	O4	93.233
O3	C2	H6	112.936	O3	C2	H8	112.936
O4	C1	H5	112.936	O4	C1	H7	112.936
O4	C2	H6	112.936	O4	C2	H8	112.936
H5	C1	H7	110.867	H6	C2	H8	110.867

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.135
2	C	0.135
3	O	-0.339
4	O	-0.339
5	H	0.102
6	H	0.102
7	H	0.102
8	H	0.102

<r²>	58.174
(<r²>)^1/2	7.627

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

using model chemistry: BLYP/6-311G**

States and conformations

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