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	hartrees
Energy at 0K	-228.517506
Energy at 298.15K	-228.523183
Nuclear repulsion energy	130.394872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3030	2938
2	A_g	1600	1552
3	A_g	1125	1091
4	A_g	889	862
5	A_u	1139	1105
6	B_1g	1360	1319
7	B_1g	1028	997
8	B_1u	3074	2981
9	B_1u	1184	1149
10	B_1u	145	141
11	B_2g	3071	2978
12	B_2g	1130	1096
13	B_2u	1468	1423
14	B_2u	961	932
15	B_3g	1076	1043
16	B_3u	3015	2923
17	B_3u	1563	1515
18	B_3u	1084	1051

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	-1.602	0.000	0.907
H6	1.602	0.000	0.907
H7	-1.602	0.000	-0.907
H8	1.602	0.000	-0.907

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9610	1.4305	1.4305	1.0998	2.7375	1.0998	2.7375
C2	1.9610		1.4305	1.4305	2.7375	1.0998	2.7375	1.0998
O3	1.4305	1.4305		2.0832	2.1155	2.1155	2.1155	2.1155
O4	1.4305	1.4305	2.0832		2.1155	2.1155	2.1155	2.1155
H5	1.0998	2.7375	2.1155	2.1155		3.2047	1.8143	3.6826
H6	2.7375	1.0998	2.1155	2.1155	3.2047		3.6826	1.8143
H7	1.0998	2.7375	2.1155	2.1155	1.8143	3.6826		3.2047
H8	2.7375	1.0998	2.1155	2.1155	3.6826	1.8143	3.2047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.538	C1	O4	C2	86.538
O3	C1	O4	93.462	O3	C1	H5	112.802
O3	C1	H7	112.802	O3	C2	O4	93.462
O3	C2	H6	112.802	O3	C2	H8	112.802
O4	C1	H5	112.802	O4	C1	H7	112.802
O4	C2	H6	112.802	O4	C2	H8	112.802
H5	C1	H7	111.137	H6	C2	H8	111.137

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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