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	hartrees
Energy at 0K	-348.247377
Energy at 298.15K	-348.249280
HF Energy	-348.247377
Nuclear repulsion energy	134.290164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1179	1068	0.59
2	A	1163	1053	33.73
3	A	575	520	0.24
4	A	221	200	0.30
5	B	1155	1046	66.27
6	B	733	664	9.13

Atom	x (Å)	y (Å)	z (Å)
F1	0.599	1.199	-0.456
O2	0.599	0.257	0.513
O3	-0.599	-0.257	0.513
F4	-0.599	-1.199	-0.456

	F1	O2	O3	F4
F1		1.3524	2.1196	2.6805
O2	1.3524		1.3025	2.1196
O3	2.1196	1.3025		1.3524
F4	2.6805	2.1196	1.3524

Number	Element	Mulliken
1	F	-0.229
2	O	0.229
3	O	0.229
4	F	-0.229

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: HF/6-31G(2df,p)

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	0.387	0.387
CHELPG
AIM
ESP

	x	y	z
x	2.007	0.667	0.000
y	0.667	2.773	0.000
z	0.000	0.000	2.124

<r²>	59.295
(<r²>)^1/2	7.700