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	hartrees
Energy at 0K	-226.902416
Energy at 298.15K	-226.907938
Nuclear repulsion energy	124.920654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3055	2963
2	A_g	1644	1594
3	A_g	1018	988
4	A_g	804	779
5	A_u	1083	1050
6	B_1g	1299	1260
7	B_1g	937	908
8	B_1u	3113	3019
9	B_1u	1132	1098
10	B_1u	153	149
11	B_2g	3106	3012
12	B_2g	1099	1066
13	B_2u	1404	1362
14	B_2u	786	762
15	B_3g	1004	974
16	B_3u	3042	2950
17	B_3u	1604	1555
18	B_3u	945	917

Atom	x (Å)	y (Å)	z (Å)
C1	-1.042	0.000	0.000
C2	1.042	0.000	0.000
O3	0.000	1.088	0.000
O4	0.000	-1.088	0.000
H5	-1.651	0.000	0.911
H6	1.651	0.000	0.911
H7	-1.651	0.000	-0.911
H8	1.651	0.000	-0.911

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.0843	1.5069	1.5069	1.0957	2.8428	1.0957	2.8428
C2	2.0843		1.5069	1.5069	2.8428	1.0957	2.8428	1.0957
O3	1.5069	1.5069		2.1768	2.1771	2.1771	2.1771	2.1771
O4	1.5069	1.5069	2.1768		2.1771	2.1771	2.1771	2.1771
H5	1.0957	2.8428	2.1771	2.1771		3.3013	1.8225	3.7710
H6	2.8428	1.0957	2.1771	2.1771	3.3013		3.7710	1.8225
H7	1.0957	2.8428	2.1771	2.1771	1.8225	3.7710		3.3013
H8	2.8428	1.0957	2.1771	2.1771	3.7710	1.8225	3.3013

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.514	C1	O4	C2	87.514
O3	C1	O4	92.486	O3	C1	H5	112.585
O3	C1	H7	112.585	O3	C2	O4	92.486
O3	C2	H6	112.585	O3	C2	H8	112.585
O4	C1	H5	112.585	O4	C1	H7	112.585
O4	C2	H6	112.585	O4	C2	H8	112.585
H5	C1	H7	112.535	H6	C2	H8	112.535

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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