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	hartrees
Energy at 0K	-228.921159
Energy at 298.15K	-228.926869
Nuclear repulsion energy	131.514715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3033	2896	0.00
2	A_g	1603	1531	0.00
3	A_g	1161	1109	0.00
4	A_g	892	851	0.00
5	A_u	1138	1086	0.00
6	B_1g	1353	1292	0.00
7	B_1g	1061	1013	0.00
8	B_1u	3073	2934	162.98
9	B_1u	1187	1133	18.34
10	B_1u	159	151	13.61
11	B_2g	3068	2930	0.00
12	B_2g	1140	1088	0.00
13	B_2u	1469	1402	26.87
14	B_2u	996	951	98.31
15	B_3g	1072	1024	0.00
16	B_3u	3014	2877	222.65
17	B_3u	1564	1493	24.38
18	B_3u	1131	1080	254.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.972	0.000	0.000
C2	0.972	0.000	0.000
O3	0.000	1.030	0.000
O4	0.000	-1.030	0.000
H5	-1.598	0.000	0.901
H6	1.598	0.000	0.901
H7	-1.598	0.000	-0.901
H8	1.598	0.000	-0.901

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9432	1.4162	1.4162	1.0979	2.7234	1.0979	2.7234
C2	1.9432		1.4162	1.4162	2.7234	1.0979	2.7234	1.0979
O3	1.4162	1.4162		2.0606	2.1045	2.1045	2.1045	2.1045
O4	1.4162	1.4162	2.0606		2.1045	2.1045	2.1045	2.1045
H5	1.0979	2.7234	2.1045	2.1045		3.1967	1.8029	3.6700
H6	2.7234	1.0979	2.1045	2.1045	3.1967		3.6700	1.8029
H7	1.0979	2.7234	2.1045	2.1045	1.8029	3.6700		3.1967
H8	2.7234	1.0979	2.1045	2.1045	3.6700	1.8029	3.1967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.640	C1	O4	C2	86.640
O3	C1	O4	93.360	O3	C1	H5	113.057
O3	C1	H7	113.057	O3	C2	O4	93.360
O3	C2	H6	113.057	O3	C2	H8	113.057
O4	C1	H5	113.057	O4	C1	H7	113.057
O4	C2	H6	113.057	O4	C2	H8	113.057
H5	C1	H7	110.381	H6	C2	H8	110.381

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

using model chemistry: B1B95/6-31G**

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	0.283
2	C	0.283
3	O	-0.519
4	O	-0.519
5	H	0.118
6	H	0.118
7	H	0.118
8	H	0.118

<r²>	56.243
(<r²>)^1/2	7.500

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

using model chemistry: B1B95/6-31G**

States and conformations

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