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	hartrees
Energy at 0K	-228.509183
Energy at 298.15K	-228.514865
Nuclear repulsion energy	130.939582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3075	2912	0.00
2	A_g	1626	1540	0.00
3	A_g	1145	1085	0.00
4	A_g	892	844	0.00
5	A_u	1156	1095	0.00
6	B_1g	1377	1304	0.00
7	B_1g	1047	991	0.00
8	B_1u	3131	2966	139.59
9	B_1u	1201	1138	20.71
10	B_1u	139	131	15.90
11	B_2g	3129	2963	0.00
12	B_2g	1151	1090	0.00
13	B_2u	1481	1402	19.63
14	B_2u	980	928	105.12
15	B_3g	1093	1035	0.00
16	B_3u	3062	2900	201.78
17	B_3u	1590	1506	14.95
18	B_3u	1107	1048	241.25

Atom	x (Å)	y (Å)	z (Å)
C1	-0.975	0.000	0.000
C2	0.975	0.000	0.000
O3	0.000	1.039	0.000
O4	0.000	-1.039	0.000
H5	-1.594	0.000	0.904
H6	1.594	0.000	0.904
H7	-1.594	0.000	-0.904
H8	1.594	0.000	-0.904

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9500	1.4245	1.4245	1.0957	2.7231	1.0957	2.7231
C2	1.9500		1.4245	1.4245	2.7231	1.0957	2.7231	1.0957
O3	1.4245	1.4245		2.0771	2.1062	2.1062	2.1062	2.1062
O4	1.4245	1.4245	2.0771		2.1062	2.1062	2.1062	2.1062
H5	1.0957	2.7231	2.1062	2.1062		3.1871	1.8089	3.6646
H6	2.7231	1.0957	2.1062	2.1062	3.1871		3.6646	1.8089
H7	1.0957	2.7231	2.1062	2.1062	1.8089	3.6646		3.1871
H8	2.7231	1.0957	2.1062	2.1062	3.6646	1.8089	3.1871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.385	C1	O4	C2	86.385
O3	C1	O4	93.615	O3	C1	H5	112.729
O3	C1	H7	112.729	O3	C2	O4	93.615
O3	C2	H6	112.729	O3	C2	H8	112.729
O4	C1	H5	112.729	O4	C1	H7	112.729
O4	C2	H6	112.729	O4	C2	H8	112.729
H5	C1	H7	111.265	H6	C2	H8	111.265

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

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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