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	hartrees
Energy at 0K	-228.379226
Energy at 298.15K	-228.384867
Nuclear repulsion energy	129.918020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3039	2902
2	A_g	1626	1552
3	A_g	1117	1066
4	A_g	875	835
5	A_u	1133	1082
6	B_1g	1351	1290
7	B_1g	1029	982
8	B_1u	3089	2949
9	B_1u	1190	1136
10	B_1u	139	133
11	B_2g	3085	2946
12	B_2g	1147	1095
13	B_2u	1460	1394
14	B_2u	953	910
15	B_3g	1067	1019
16	B_3u	3026	2889
17	B_3u	1589	1517
18	B_3u	1084	1035

Atom	x (Å)	y (Å)	z (Å)
C1	-0.985	0.000	0.000
C2	0.985	0.000	0.000
O3	0.000	1.045	0.000
O4	0.000	-1.045	0.000
H5	-1.609	0.000	0.907
H6	1.609	0.000	0.907
H7	-1.609	0.000	-0.907
H8	1.609	0.000	-0.907

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9706	1.4363	1.4363	1.1012	2.7487	1.1012	2.7487
C2	1.9706		1.4363	1.4363	2.7487	1.1012	2.7487	1.1012
O3	1.4363	1.4363		2.0901	2.1226	2.1226	2.1226	2.1226
O4	1.4363	1.4363	2.0901		2.1226	2.1226	2.1226	2.1226
H5	1.1012	2.7487	2.1226	2.1226		3.2185	1.8148	3.6949
H6	2.7487	1.1012	2.1226	2.1226	3.2185		3.6949	1.8148
H7	1.1012	2.7487	2.1226	2.1226	1.8148	3.6949		3.2185
H8	2.7487	1.1012	2.1226	2.1226	3.6949	1.8148	3.2185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.629	C1	O4	C2	86.629
O3	C1	O4	93.371	O3	C1	H5	112.873
O3	C1	H7	112.873	O3	C2	O4	93.371
O3	C2	H6	112.873	O3	C2	H8	112.873
O4	C1	H5	112.873	O4	C1	H7	112.873
O4	C2	H6	112.873	O4	C2	H8	112.873
H5	C1	H7	110.973	H6	C2	H8	110.973

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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