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	hartrees
Energy at 0K	-44.652608
Energy at 298.15K	-44.658497
Nuclear repulsion energy	73.870443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3226	2914	0.00
2	A_g	1725	1558	0.00
3	A_g	1231	1112	0.00
4	A_g	976	882	0.00
5	A_u	1234	1114	0.00
6	B_1g	1471	1329	0.00
7	B_1g	1110	1003	0.00
8	B_1u	3280	2963	174.85
9	B_1u	1288	1163	35.32
10	B_1u	202	182	21.86
11	B_2g	3275	2958	0.00
12	B_2g	1219	1101	0.00
13	B_2u	1597	1443	66.62
14	B_2u	1080	976	155.45
15	B_3g	1204	1088	0.00
16	B_3u	3212	2902	246.09
17	B_3u	1688	1525	26.40
18	B_3u	1214	1096	332.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.978	0.000	0.000
C2	0.978	0.000	0.000
O3	0.000	1.020	0.000
O4	0.000	-1.020	0.000
H5	-1.593	0.000	0.896
H6	1.593	0.000	0.896
H7	-1.593	0.000	-0.896
H8	1.593	0.000	-0.896

	C1	C2	O3	O4	H5	H6	H7	H8
C1		1.9557	1.4130	1.4130	1.0867	2.7222	1.0867	2.7222
C2	1.9557		1.4130	1.4130	2.7222	1.0867	2.7222	1.0867
O3	1.4130	1.4130		2.0401	2.0929	2.0929	2.0929	2.0929
O4	1.4130	1.4130	2.0401		2.0929	2.0929	2.0929	2.0929
H5	1.0867	2.7222	2.0929	2.0929		3.1855	1.7919	3.6549
H6	2.7222	1.0867	2.0929	2.0929	3.1855		3.6549	1.7919
H7	1.0867	2.7222	2.0929	2.0929	1.7919	3.6549		3.1855
H8	2.7222	1.0867	2.0929	2.0929	3.6549	1.7919	3.1855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O3	C2	87.579	C1	O4	C2	87.579
O3	C1	O4	92.421	O3	C1	H5	113.053
O3	C1	H7	113.053	O3	C2	O4	92.421
O3	C2	H6	113.053	O3	C2	H8	113.053
O4	C1	H5	113.053	O4	C1	H7	113.053
O4	C2	H6	113.053	O4	C2	H8	113.053
H5	C1	H7	111.075	H6	C2	H8	111.075

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

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	C	0.116
2	C	0.116
3	O	-0.405
4	O	-0.405
5	H	0.144
6	H	0.144
7	H	0.144
8	H	0.144

<r²>	48.103
(<r²>)^1/2	6.936

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

using model chemistry: HF/CEP-121G*

States and conformations

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