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	hartrees
Energy at 0K	-348.314682
Energy at 298.15K	-348.316131
HF Energy	-348.314682
Nuclear repulsion energy	124.126015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1417	1394	63.58
2	A	716	704	43.99
3	A	453	445	13.50
4	A	195	191	1.15
5	B	684	673	137.11
6	B	524	515	59.92

Atom	x (Å)	y (Å)	z (Å)
F1	0.521	1.449	-0.500
O2	0.521	0.285	0.562
O3	-0.521	-0.285	0.562
F4	-0.521	-1.449	-0.500

	F1	O2	O3	F4
F1		1.5753	2.2853	3.0796
O2	1.5753		1.1887	2.2853
O3	2.2853	1.1887		1.5753
F4	3.0796	2.2853	1.5753

Number	Element	Mulliken
1	F	-0.184
2	O	0.184
3	O	0.184
4	F	-0.184

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: LSDA/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	1.565	1.565
CHELPG
AIM
ESP

	x	y	z
x	1.742	1.303	0.000
y	1.303	4.105	0.000
z	0.000	0.000	2.042

<r²>	70.804
(<r²>)^1/2	8.414