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	hartrees
Energy at 0K	-228.278666
Energy at 298.15K	-228.284452
Nuclear repulsion energy	131.463465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3159	2924	0.00
2	A_g	1682	1557	0.00
3	A_g	1191	1103	0.00
4	A_g	933	864	0.00
5	A_u	1188	1100	0.00
6	B_1g	1414	1309	0.00
7	B_1g	1092	1011	0.00
8	B_1u	3208	2970	143.02
9	B_1u	1243	1151	24.85
10	B_1u	173	160	18.79
11	B_2g	3203	2966	0.00
12	B_2g	1189	1101	0.00
13	B_2u	1531	1417	32.15
14	B_2u	1030	954	110.97
15	B_3g	1140	1055	0.00
16	B_3u	3143	2910	176.30
17	B_3u	1645	1523	25.86
18	B_3u	1163	1076	261.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.977	0.000	0.000
C2	0.977	0.000	0.000
O3	0.000	1.029	0.000
O4	0.000	-1.029	0.000
H5	-1.596	0.000	0.899
H6	1.596	0.000	0.899
H7	-1.596	0.000	-0.899
H8	1.596	0.000	-0.899

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9536	1.4186	1.4186	1.0913	2.7252	1.0913	2.7252
C2	1.9536		1.4186	1.4186	2.7252	1.0913	2.7252	1.0913
O3	1.4186	1.4186		2.0574	2.1007	2.1007	2.1007	2.1007
O4	1.4186	1.4186	2.0574		2.1007	2.1007	2.1007	2.1007
H5	1.0913	2.7252	2.1007	2.1007		3.1918	1.7974	3.6631
H6	2.7252	1.0913	2.1007	2.1007	3.1918		3.6631	1.7974
H7	1.0913	2.7252	2.1007	2.1007	1.7974	3.6631		3.1918
H8	2.7252	1.0913	2.1007	2.1007	3.6631	1.7974	3.1918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.034	C1	O4	C2	87.034
O3	C1	O4	92.966	O3	C1	H5	112.994
O3	C1	H7	112.994	O3	C2	O4	92.966
O3	C2	H6	112.994	O3	C2	H8	112.994
O4	C1	H5	112.994	O4	C1	H7	112.994
O4	C2	H6	112.994	O4	C2	H8	112.994
H5	C1	H7	110.873	H6	C2	H8	110.873

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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