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	hartrees
Energy at 0K	-228.673648
Energy at 298.15K	-228.679294
Nuclear repulsion energy	131.248286

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3085	2928	0.00
2	A_g	1614	1533	0.00
3	A_g	1138	1080	0.00
4	A_g	877	833	0.00
5	A_u	1163	1104	0.00
6	B_1g	1373	1303	0.00
7	B_1g	1034	982	0.00
8	B_1u	3123	2965	103.98
9	B_1u	1194	1133	16.72
10	B_1u	117	111	15.33
11	B_2g	3122	2964	0.00
12	B_2g	1149	1090	0.00
13	B_2u	1467	1392	12.39
14	B_2u	972	923	106.98
15	B_3g	1095	1040	0.00
16	B_3u	3073	2918	188.87
17	B_3u	1579	1499	13.60
18	B_3u	1102	1046	238.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.975	0.000	0.000
C2	0.975	0.000	0.000
O3	0.000	1.036	0.000
O4	0.000	-1.036	0.000
H5	-1.590	0.000	0.897
H6	1.590	0.000	0.897
H7	-1.590	0.000	-0.897
H8	1.590	0.000	-0.897

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9493	1.4224	1.4224	1.0878	2.7167	1.0878	2.7167
C2	1.9493		1.4224	1.4224	2.7167	1.0878	2.7167	1.0878
O3	1.4224	1.4224		2.0719	2.0988	2.0988	2.0988	2.0988
O4	1.4224	1.4224	2.0719		2.0988	2.0988	2.0988	2.0988
H5	1.0878	2.7167	2.0988	2.0988		3.1790	1.7948	3.6507
H6	2.7167	1.0878	2.0988	2.0988	3.1790		3.6507	1.7948
H7	1.0878	2.7167	2.0988	2.0988	1.7948	3.6507		3.1790
H8	2.7167	1.0878	2.0988	2.0988	3.6507	1.7948	3.1790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.507	C1	O4	C2	86.507
O3	C1	O4	93.493	O3	C1	H5	112.787
O3	C1	H7	112.787	O3	C2	O4	93.493
O3	C2	H6	112.787	O3	C2	H8	112.787
O4	C1	H5	112.787	O4	C1	H7	112.787
O4	C2	H6	112.787	O4	C2	H8	112.787
H5	C1	H7	111.166	H6	C2	H8	111.166

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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