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	hartrees
Energy at 0K	-213.091134
Energy at 298.15K	-213.090845
HF Energy	-213.091134
Nuclear repulsion energy	59.460434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1822	1812	166.31
2	A'	1015	1009	138.77
3	A'	603	599	5.58

Atom	x (Å)	y (Å)
F1	-1.029	-0.437
C2	0.000	0.428
O3	1.158	0.171

	F1	C2	O3
F1		1.3445	2.2698
C2	1.3445		1.1858
O3	2.2698	1.1858

Number	Element	Mulliken
1	F	0.016
2	C	0.079
3	O	-0.095

All results from a given calculation for FCO (Carbonyl fluoride)

using model chemistry: BLYP/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
	-0.737	0.028	0.000	0.738
CHELPG
AIM
ESP

	x	y	z
x	2.869	0.110	0.000
y	0.110	1.853	0.000
z	0.000	0.000	1.572

<r²>	32.915
(<r²>)^1/2	5.737