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	hartrees
Energy at 0K	-224.982093
Energy at 298.15K	-224.987588
Nuclear repulsion energy	126.025686

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	2942	0.00
2	A_g	1735	1542	0.00
3	A_g	1179	1048	0.00
4	A_g	897	798	0.00
5	A_u	1180	1049	0.00
6	B_1g	1416	1259	0.00
7	B_1g	1219	1084	0.00
8	B_1u	3420	3040	34.43
9	B_1u	1166	1037	26.83
10	B_1u	110	98	11.90
11	B_2g	3415	3036	0.00
12	B_2g	1106	983	0.00
13	B_2u	1528	1358	1.43
14	B_2u	1024	910	1.92
15	B_3g	1129	1003	0.00
16	B_3u	3302	2935	26.27
17	B_3u	1707	1517	19.58
18	B_3u	1176	1045	46.03

Atom	x (Å)	y (Å)	z (Å)
C1	-1.016	0.000	0.000
C2	1.016	0.000	0.000
O3	0.000	1.081	0.000
O4	0.000	-1.081	0.000
H5	-1.666	0.000	0.914
H6	1.666	0.000	0.914
H7	-1.666	0.000	-0.914
H8	1.666	0.000	-0.914

	C1	C2	O3	O4	H5	H6	H7	H8
C1		2.0321	1.4832	1.4832	1.1212	2.8333	1.1212	2.8333
C2	2.0321		1.4832	1.4832	2.8333	1.1212	2.8333	1.1212
O3	1.4832	1.4832		2.1612	2.1858	2.1858	2.1858	2.1858
O4	1.4832	1.4832	2.1612		2.1858	2.1858	2.1858	2.1858
H5	1.1212	2.8333	2.1858	2.1858		3.3319	1.8272	3.8000
H6	2.8333	1.1212	2.1858	2.1858	3.3319		3.8000	1.8272
H7	1.1212	2.8333	2.1858	2.1858	1.8272	3.8000		3.3319
H8	2.8333	1.1212	2.1858	2.1858	3.8000	1.8272	3.3319

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.473	C1	O4	C2	86.473
O3	C1	O4	93.527	O3	C1	H5	113.395
O3	C1	H7	113.395	O3	C2	O4	93.527
O3	C2	H6	113.395	O3	C2	H8	113.395
O4	C1	H5	113.395	O4	C1	H7	113.395
O4	C2	H6	113.395	O4	C2	H8	113.395
H5	C1	H7	109.148	H6	C2	H8	109.148

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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