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	hartrees
Energy at 0K	-1069.287526
Energy at 298.15K	-1069.288550
HF Energy	-1068.493984
Nuclear repulsion energy	204.810423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	772	749
2	A	540	525
3	A	316	307
4	A	119	115	0.00
5	B	625	607
6	B	420	408

Atom	x (Å)	y (Å)	z (Å)
O1	0.343	0.602	0.850
O2	-0.343	-0.602	0.850
Cl3	-0.343	1.680	-0.400
Cl4	0.343	-1.680	-0.400

	O1	O2	Cl3	Cl4
O1		1.3864	1.7879	2.6030
O2	1.3864		2.6030	1.7879
Cl3	1.7879	2.6030		3.4302
Cl4	2.6030	1.7879	3.4302

All results from a given calculation for ClOOCl (Dichlorine dioxide)

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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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