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	hartrees
Energy at 0K	-227.851244
Energy at 298.15K	-227.856761
Nuclear repulsion energy	131.116132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2919	2875	0.00
2	A_g	1512	1489	0.00
3	A_g	1137	1120	0.00
4	A_g	865	852	0.00
5	A_u	1083	1067	0.00
6	B_1g	1291	1272	0.00
7	B_1g	1038	1023	0.00
8	B_1u	2954	2910	127.47
9	B_1u	1133	1116	12.87
10	B_1u	83	82	11.61
11	B_2g	2953	2908	0.00
12	B_2g	1087	1071	0.00
13	B_2u	1379	1359	17.06
14	B_2u	955	940	111.24
15	B_3g	994	979	0.00
16	B_3u	2902	2858	225.33
17	B_3u	1475	1453	11.51
18	B_3u	1104	1088	258.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.974	0.000	0.000
C2	0.974	0.000	0.000
O3	0.000	1.031	0.000
O4	0.000	-1.031	0.000
H5	-1.605	0.000	0.915
H6	1.605	0.000	0.915
H7	-1.605	0.000	-0.915
H8	1.605	0.000	-0.915

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9478	1.4182	1.4182	1.1115	2.7365	1.1115	2.7365
C2	1.9478		1.4182	1.4182	2.7365	1.1115	2.7365	1.1115
O3	1.4182	1.4182		2.0619	2.1157	2.1157	2.1157	2.1157
O4	1.4182	1.4182	2.0619		2.1157	2.1157	2.1157	2.1157
H5	1.1115	2.7365	2.1157	2.1157		3.2103	1.8297	3.6951
H6	2.7365	1.1115	2.1157	2.1157	3.2103		3.6951	1.8297
H7	1.1115	2.7365	2.1157	2.1157	1.8297	3.6951		3.2103
H8	2.7365	1.1115	2.1157	2.1157	3.6951	1.8297	3.2103

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.740	C1	O4	C2	86.740
O3	C1	O4	93.260	O3	C1	H5	112.955
O3	C1	H7	112.955	O3	C2	O4	93.260
O3	C2	H6	112.955	O3	C2	H8	112.955
O4	C1	H5	112.955	O4	C1	H7	112.955
O4	C2	H6	112.955	O4	C2	H8	112.955
H5	C1	H7	110.788	H6	C2	H8	110.788

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

using model chemistry: LSDA/6-31+G**

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	0.026
2	C	0.026
3	O	-0.363
4	O	-0.363
5	H	0.169
6	H	0.169
7	H	0.169
8	H	0.169

<r²>	57.048
(<r²>)^1/2	7.553

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

using model chemistry: LSDA/6-31+G**

States and conformations

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