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	hartrees
Energy at 0K	-228.378986
Energy at 298.15K	-228.384640
Nuclear repulsion energy	129.976445

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3035	2911
2	A_g	1624	1558
3	A_g	1120	1074
4	A_g	884	848
5	A_u	1134	1088
6	B_1g	1351	1296
7	B_1g	1032	990
8	B_1u	3081	2955
9	B_1u	1191	1143
10	B_1u	143	138
11	B_2g	3077	2952
12	B_2g	1146	1099
13	B_2u	1461	1402
14	B_2u	959	920
15	B_3g	1070	1026
16	B_3u	3020	2897
17	B_3u	1588	1523
18	B_3u	1088	1043

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	-1.610	0.000	0.908
H6	1.610	0.000	0.908
H7	-1.610	0.000	-0.908
H8	1.610	0.000	-0.908

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9718	1.4355	1.4355	1.1013	2.7498	1.1013	2.7498
C2	1.9718		1.4355	1.4355	2.7498	1.1013	2.7498	1.1013
O3	1.4355	1.4355		2.0868	2.1222	2.1222	2.1222	2.1222
O4	1.4355	1.4355	2.0868		2.1222	2.1222	2.1222	2.1222
H5	1.1013	2.7498	2.1222	2.1222		3.2195	1.8152	3.6960
H6	2.7498	1.1013	2.1222	2.1222	3.2195		3.6960	1.8152
H7	1.1013	2.7498	2.1222	2.1222	1.8152	3.6960		3.2195
H8	2.7498	1.1013	2.1222	2.1222	3.6960	1.8152	3.2195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	86.755	C1	O4	C2	86.755
O3	C1	O4	93.245	O3	C1	H5	112.894
O3	C1	H7	112.894	O3	C2	O4	93.245
O3	C2	H6	112.894	O3	C2	H8	112.894
O4	C1	H5	112.894	O4	C1	H7	112.894
O4	C2	H6	112.894	O4	C2	H8	112.894
H5	C1	H7	110.996	H6	C2	H8	110.996

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

using model chemistry: QCISD(T)/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: QCISD(T)/6-31G*

States and conformations

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