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	hartrees
Energy at 0K	-1070.714294
Energy at 298.15K	-1070.715073
HF Energy	-1070.714294
Nuclear repulsion energy	188.155895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1184	1180	140.36
2	A	509	507	15.80
3	A	258	257	10.50
4	A	95	95	0.01
5	B	486	485	83.13
6	B	326	324	80.46

Atom	x (Å)	y (Å)	z (Å)
O1	0.320	0.534	0.900
O2	-0.320	-0.534	0.900
Cl3	-0.320	1.940	-0.423
Cl4	0.320	-1.940	-0.423

	O1	O2	Cl3	Cl4
O1		1.2457	2.0337	2.8057
O2	1.2457		2.8057	2.0337
Cl3	2.0337	2.8057		3.9324
Cl4	2.8057	2.0337	3.9324

Number	Element	Mulliken
1	O	0.005
2	O	0.005
3	Cl	-0.005
4	Cl	-0.005

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

using model chemistry: BLYP/6-311G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	0.731	0.731
CHELPG
AIM
ESP

	x	y	z
x	2.632	-1.904	0.000
y	-1.904	14.076	0.000
z	0.000	0.000	4.408

<r²>	179.390
(<r²>)^1/2	13.394