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	hartrees
Energy at 0K	-228.381137
Energy at 298.15K	-228.386803
Nuclear repulsion energy	130.519690

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3109	2905	0.00
2	A_g	1649	1541	0.00
3	A_g	1136	1061	0.00
4	A_g	879	821	0.00
5	A_u	1157	1081	0.00
6	B_1g	1378	1287	0.00
7	B_1g	1048	979	0.00
8	B_1u	3169	2961	140.42
9	B_1u	1205	1126	20.52
10	B_1u	133	125	16.11
11	B_2g	3165	2958	0.00
12	B_2g	1161	1085	0.00
13	B_2u	1487	1390	24.60
14	B_2u	971	908	93.99
15	B_3g	1088	1016	0.00
16	B_3u	3096	2893	187.53
17	B_3u	1612	1507	29.71
18	B_3u	1103	1031	232.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.980	0.000	0.000
C2	0.980	0.000	0.000
O3	0.000	1.042	0.000
O4	0.000	-1.042	0.000
H5	-1.600	0.000	0.899
H6	1.600	0.000	0.899
H7	-1.600	0.000	-0.899
H8	1.600	0.000	-0.899

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9598	1.4305	1.4305	1.0924	2.7322	1.0924	2.7322
C2	1.9598		1.4305	1.4305	2.7322	1.0924	2.7322	1.0924
O3	1.4305	1.4305		2.0844	2.1107	2.1107	2.1107	2.1107
O4	1.4305	1.4305	2.0844		2.1107	2.1107	2.1107	2.1107
H5	1.0924	2.7322	2.1107	2.1107		3.2002	1.7985	3.6710
H6	2.7322	1.0924	2.1107	2.1107	3.2002		3.6710	1.7985
H7	1.0924	2.7322	2.1107	2.1107	1.7985	3.6710		3.2002
H8	2.7322	1.0924	2.1107	2.1107	3.6710	1.7985	3.2002

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.470	C1	O4	C2	86.470
O3	C1	O4	93.530	O3	C1	H5	112.886
O3	C1	H7	112.886	O3	C2	O4	93.530
O3	C2	H6	112.886	O3	C2	H8	112.886
O4	C1	H5	112.886	O4	C1	H7	112.886
O4	C2	H6	112.886	O4	C2	H8	112.886
H5	C1	H7	110.813	H6	C2	H8	110.813

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H4O2 (1,3-dioxetane)

using model chemistry: MP2=FULL/6-31G**

States and conformations

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