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	hartrees
Energy at 0K	-348.112919
Energy at 298.15K	-348.114546
HF Energy	-348.112919
Nuclear repulsion energy	127.161333

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1041	940	17.55
2	A	944	852	0.00
3	A	470	424	0.65
4	A	174	157	0.63
5	B	1034	934	35.45
6	B	615	555	8.15

Atom	x (Å)	y (Å)	z (Å)
F1	0.641	1.253	-0.483
O2	0.641	0.259	0.544
O3	-0.641	-0.259	0.544
F4	-0.641	-1.253	-0.483

	F1	O2	O3	F4
F1		1.4296	2.2325	2.8155
O2	1.4296		1.3823	2.2325
O3	2.2325	1.3823		1.4296
F4	2.8155	2.2325	1.4296

Number	Element	Mulliken
1	F	-0.135
2	O	0.135
3	O	0.135
4	F	-0.135

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: HF/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	0.518	0.518
CHELPG
AIM
ESP

	x	y	z
x	1.765	1.074	0.000
y	1.074	2.958	0.000
z	0.000	0.000	1.964

<r²>	65.096
(<r²>)^1/2	8.068