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	hartrees
Energy at 0K	-228.397380
Energy at 298.15K	-228.402945
Nuclear repulsion energy	130.186834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3123	2933	0.00
2	A_g	1630	1531	0.00
3	A_g	1117	1049	0.00
4	A_g	863	811	0.00
5	A_u	1149	1079	0.00
6	B_1g	1376	1293	0.00
7	B_1g	1027	964	0.00
8	B_1u	3190	2996	93.88
9	B_1u	1194	1122	18.20
10	B_1u	86	81	20.60
11	B_2g	3188	2994	0.00
12	B_2g	1149	1080	0.00
13	B_2u	1464	1375	23.94
14	B_2u	952	894	119.43
15	B_3g	1079	1013	0.00
16	B_3u	3113	2924	171.46
17	B_3u	1599	1502	18.99
18	B_3u	1091	1025	241.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.986	0.000	0.000
C2	0.986	0.000	0.000
O3	0.000	1.043	0.000
O4	0.000	-1.043	0.000
H5	-1.598	0.000	0.903
H6	1.598	0.000	0.903
H7	-1.598	0.000	-0.903
H8	1.598	0.000	-0.903

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9725	1.4357	1.4357	1.0906	2.7377	1.0906	2.7377
C2	1.9725		1.4357	1.4357	2.7377	1.0906	2.7377	1.0906
O3	1.4357	1.4357		2.0867	2.1114	2.1114	2.1114	2.1114
O4	1.4357	1.4357	2.0867		2.1114	2.1114	2.1114	2.1114
H5	1.0906	2.7377	2.1114	2.1114		3.1968	1.8051	3.6713
H6	2.7377	1.0906	2.1114	2.1114	3.1968		3.6713	1.8051
H7	1.0906	2.7377	2.1114	2.1114	1.8051	3.6713		3.1968
H8	2.7377	1.0906	2.1114	2.1114	3.6713	1.8051	3.1968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.776	C1	O4	C2	86.776
O3	C1	O4	93.224	O3	C1	H5	112.681
O3	C1	H7	112.681	O3	C2	O4	93.224
O3	C2	H6	112.681	O3	C2	H8	112.681
O4	C1	H5	112.681	O4	C1	H7	112.681
O4	C2	H6	112.681	O4	C2	H8	112.681
H5	C1	H7	111.704	H6	C2	H8	111.704

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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