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	hartrees
Energy at 0K	-349.815458
Energy at 298.15K	-349.816812
HF Energy	-349.815458
Nuclear repulsion energy	121.299467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1219	1209	37.61
2	A	692	687	36.94
3	A	428	424	8.03
4	A	185	184	0.61
5	B	680	674	124.13
6	B	495	491	35.98

Atom	x (Å)	y (Å)	z (Å)
F1	0.587	1.379	-0.474
O2	0.587	0.326	0.533
O3	-0.587	-0.326	0.533
F4	-0.587	-1.379	-0.474

	F1	O2	O3	F4
F1		1.4571	2.3025	2.9978
O2	1.4571		1.3432	2.3025
O3	2.3025	1.3432		1.4571
F4	2.9978	2.3025	1.4571

Number	Element	Mulliken
1	F	-0.167
2	O	0.167
3	O	0.167
4	F	-0.167

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	1.228	1.228
CHELPG
AIM
ESP

	x	y	z
x	2.009	1.304	0.000
y	1.304	4.231	0.000
z	0.000	0.000	2.185

<r²>	72.752
(<r²>)^1/2	8.529