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	hartrees
Energy at 0K	-349.660434
Energy at 298.15K	-349.662106
HF Energy	-349.660434
Nuclear repulsion energy	129.888008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1093	1035	0.09
2	A	882	835	46.75
3	A	517	489	0.11
4	A	190	180	0.31
5	B	958	907	89.16
6	B	638	604	13.63

Atom	x (Å)	y (Å)	z (Å)
F1	0.600	1.259	-0.474
O2	0.600	0.258	0.534
O3	-0.600	-0.258	0.534
F4	-0.600	-1.259	-0.474

	F1	O2	O3	F4
F1		1.4204	2.1809	2.7892
O2	1.4204		1.3061	2.1809
O3	2.1809	1.3061		1.4204
F4	2.7892	2.1809	1.4204

Number	Element	Mulliken
1	F	-0.140
2	O	0.140
3	O	0.140
4	F	-0.140

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: M06-2X/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	0.514	0.514
CHELPG
AIM
ESP

	x	y	z
x	1.880	0.835	0.000
y	0.835	2.818	0.000
z	0.000	0.000	1.968

<r²>	62.695
(<r²>)^1/2	7.918