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	hartrees
Energy at 0K	-349.753382
Energy at 298.15K	-349.754603
HF Energy	-349.753382
Nuclear repulsion energy	117.031226

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	981	974	16.96
2	A	660	655	34.97
3	A	396	393	2.70
4	A	168	167	0.94
5	B	679	673	102.22
6	B	450	447	11.40

Atom	x (Å)	y (Å)	z (Å)
F1	0.574	1.528	-0.515
O2	0.574	0.311	0.579
O3	-0.574	-0.311	0.579
F4	-0.574	-1.528	-0.515

	F1	O2	O3	F4
F1		1.6363	2.4278	3.2641
O2	1.6363		1.3055	2.4278
O3	2.4278	1.3055		1.6363
F4	3.2641	2.4278	1.6363

Number	Element	Mulliken
1	F	-0.133
2	O	0.133
3	O	0.133
4	F	-0.133

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	1.128	1.128
CHELPG
AIM
ESP

	x	y	z
x	1.783	1.554	0.000
y	1.554	4.347	0.000
z	0.000	0.000	1.923

<r²>	77.580
(<r²>)^1/2	8.808