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	hartrees
Energy at 0K	-228.365006
Energy at 298.15K	-228.370739
HF Energy	-227.728957
Nuclear repulsion energy	130.742035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3093	2902	0.00
2	A_g	1647	1545	0.00
3	A_g	1159	1088	0.00
4	A_g	914	858	0.00
5	A_u	1162	1090	0.00
6	B_1g	1381	1296	0.00
7	B_1g	1077	1010	0.00
8	B_1u	3143	2949	132.94
9	B_1u	1213	1138	21.59
10	B_1u	162	152	17.82
11	B_2g	3139	2945	0.00
12	B_2g	1164	1092	0.00
13	B_2u	1493	1401	24.71
14	B_2u	1003	941	97.20
15	B_3g	1110	1041	0.00
16	B_3u	3081	2890	162.34
17	B_3u	1612	1512	21.56
18	B_3u	1128	1059	235.38

Atom	x (Å)	y (Å)	z (Å)
C1	-0.976	0.000	0.000
C2	0.976	0.000	0.000
O3	0.000	1.038	0.000
O4	0.000	-1.038	0.000
H5	-1.602	0.000	0.902
H6	1.602	0.000	0.902
H7	-1.602	0.000	-0.902
H8	1.602	0.000	-0.902

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9521	1.4249	1.4249	1.0981	2.7313	1.0981	2.7313
C2	1.9521		1.4249	1.4249	2.7313	1.0981	2.7313	1.0981
O3	1.4249	1.4249		2.0761	2.1114	2.1114	2.1114	2.1114
O4	1.4249	1.4249	2.0761		2.1114	2.1114	2.1114	2.1114
H5	1.0981	2.7313	2.1114	2.1114		3.2041	1.8043	3.6771
H6	2.7313	1.0981	2.1114	2.1114	3.2041		3.6771	1.8043
H7	1.0981	2.7313	2.1114	2.1114	1.8043	3.6771		3.2041
H8	2.7313	1.0981	2.1114	2.1114	3.6771	1.8043	3.2041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.472	C1	O4	C2	86.472
O3	C1	O4	93.528	O3	C1	H5	112.987
O3	C1	H7	112.987	O3	C2	O4	93.528
O3	C2	H6	112.987	O3	C2	H8	112.987
O4	C1	H5	112.987	O4	C1	H7	112.987
O4	C2	H6	112.987	O4	C2	H8	112.987
H5	C1	H7	110.486	H6	C2	H8	110.486

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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