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	hartrees
Energy at 0K	-348.316900
Energy at 298.15K	-348.318799
HF Energy	-348.316900
Nuclear repulsion energy	134.010024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1176	1068	0.15
2	A	1140	1035	41.53
3	A	570	517	0.37
4	A	222	202	0.69
5	B	1128	1025	77.37
6	B	727	661	12.71

Atom	x (Å)	y (Å)	z (Å)
F1	0.596	1.213	-0.452
O2	0.596	0.260	0.509
O3	-0.596	-0.260	0.509
F4	-0.596	-1.213	-0.452

	F1	O2	O3	F4
F1		1.3539	2.1257	2.7041
O2	1.3539		1.3012	2.1257
O3	2.1257	1.3012		1.3539
F4	2.7041	2.1257	1.3539

Number	Element	Mulliken
1	F	-0.132
2	O	0.132
3	O	0.132
4	F	-0.132

All results from a given calculation for FOOF (Perfluoroperoxide)

using model chemistry: HF/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	0.522	0.522
CHELPG
AIM
ESP

	x	y	z
x	1.538	0.729	0.000
y	0.729	2.481	0.000
z	0.000	0.000	1.757

<r²>	60.076
(<r²>)^1/2	7.751