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	hartrees
Energy at 0K	-228.412243
Energy at 298.15K	-228.417958
Nuclear repulsion energy	130.449764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3042	2918	0.00
2	A_g	1592	1527	0.00
3	A_g	1140	1094	0.00
4	A_g	913	876	0.00
5	A_u	1137	1090	0.00
6	B_1g	1350	1296	0.00
7	B_1g	1052	1009	0.00
8	B_1u	3082	2957	169.92
9	B_1u	1184	1136	24.12
10	B_1u	157	151	12.92
11	B_2g	3079	2954	0.00
12	B_2g	1140	1094	0.00
13	B_2u	1467	1407	27.87
14	B_2u	985	945	95.05
15	B_3g	1072	1029	0.00
16	B_3u	3024	2902	214.09
17	B_3u	1554	1491	27.06
18	B_3u	1106	1061	240.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.981	0.000	0.000
C2	0.981	0.000	0.000
O3	0.000	1.036	0.000
O4	0.000	-1.036	0.000
H5	-1.615	0.000	0.910
H6	1.615	0.000	0.910
H7	-1.615	0.000	-0.910
H8	1.615	0.000	-0.910

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9623	1.4272	1.4272	1.1088	2.7508	1.1088	2.7508
C2	1.9623		1.4272	1.4272	2.7508	1.1088	2.7508	1.1088
O3	1.4272	1.4272		2.0729	2.1236	2.1236	2.1236	2.1236
O4	1.4272	1.4272	2.0729		2.1236	2.1236	2.1236	2.1236
H5	1.1088	2.7508	2.1236	2.1236		3.2297	1.8198	3.7071
H6	2.7508	1.1088	2.1236	2.1236	3.2297		3.7071	1.8198
H7	1.1088	2.7508	2.1236	2.1236	1.8198	3.7071		3.2297
H8	2.7508	1.1088	2.1236	2.1236	3.7071	1.8198	3.2297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.860	C1	O4	C2	86.860
O3	C1	O4	93.140	O3	C1	H5	113.134
O3	C1	H7	113.134	O3	C2	O4	93.140
O3	C2	H6	113.134	O3	C2	H8	113.134
O4	C1	H5	113.134	O4	C1	H7	113.134
O4	C2	H6	113.134	O4	C2	H8	113.134
H5	C1	H7	110.290	H6	C2	H8	110.290

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

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

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