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	hartrees
Energy at 0K	-228.977404
Energy at 298.15K	-228.983111
Nuclear repulsion energy	131.607091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3022	2901	0.00
2	A_g	1586	1523	0.00
3	A_g	1152	1106	0.00
4	A_g	897	861	0.00
5	A_u	1137	1092	0.00
6	B_1g	1348	1295	0.00
7	B_1g	1045	1003	0.00
8	B_1u	3060	2938	162.44
9	B_1u	1180	1133	20.10
10	B_1u	154	148	14.25
11	B_2g	3056	2934	0.00
12	B_2g	1122	1077	0.00
13	B_2u	1455	1397	22.18
14	B_2u	990	951	109.68
15	B_3g	1076	1033	0.00
16	B_3u	3004	2884	232.72
17	B_3u	1549	1487	15.31
18	B_3u	1118	1074	259.70

Atom	x (Å)	y (Å)	z (Å)
C1	-0.972	0.000	0.000
C2	0.972	0.000	0.000
O3	0.000	1.029	0.000
O4	0.000	-1.029	0.000
H5	-1.595	0.000	0.902
H6	1.595	0.000	0.902
H7	-1.595	0.000	-0.902
H8	1.595	0.000	-0.902

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9438	1.4156	1.4156	1.0959	2.7206	1.0959	2.7206
C2	1.9438		1.4156	1.4156	2.7206	1.0959	2.7206	1.0959
O3	1.4156	1.4156		2.0585	2.1014	2.1014	2.1014	2.1014
O4	1.4156	1.4156	2.0585		2.1014	2.1014	2.1014	2.1014
H5	1.0959	2.7206	2.1014	2.1014		3.1899	1.8030	3.6642
H6	2.7206	1.0959	2.1014	2.1014	3.1899		3.6642	1.8030
H7	1.0959	2.7206	2.1014	2.1014	1.8030	3.6642		3.1899
H8	2.7206	1.0959	2.1014	2.1014	3.6642	1.8030	3.1899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.716	C1	O4	C2	86.716
O3	C1	O4	93.284	O3	C1	H5	112.976
O3	C1	H7	112.976	O3	C2	O4	93.284
O3	C2	H6	112.976	O3	C2	H8	112.976
O4	C1	H5	112.976	O4	C1	H7	112.976
O4	C2	H6	112.976	O4	C2	H8	112.976
H5	C1	H7	110.701	H6	C2	H8	110.701

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

using model chemistry: B1B95/6-311G**

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	0.127
2	C	0.127
3	O	-0.352
4	O	-0.352
5	H	0.113
6	H	0.113
7	H	0.113
8	H	0.113

<r²>	56.228
(<r²>)^1/2	7.499

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

using model chemistry: B1B95/6-311G**

States and conformations

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