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	hartrees
Energy at 0K	-210.936659
Energy at 298.15K	-210.936432
HF Energy	-210.936659
Nuclear repulsion energy	59.869344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2009	1819	209.14
2	A'	1140	1033	160.95
3	A'	682	618	26.00

Atom	x (Å)	y (Å)
F1	-1.020	-0.455
C2	0.000	0.418
O3	1.147	0.198

	F1	C2	O3
F1		1.3426	2.2628
C2	1.3426		1.1679
O3	2.2628	1.1679

Number	Element	Mulliken
1	F	-0.348
2	C	0.834
3	O	-0.487

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

using model chemistry: HF/3-21G

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
	-0.898	0.662	0.000	1.116
CHELPG
AIM
ESP

	x	y	z
x	2.229	0.120	0.000
y	0.120	1.154	0.000
z	0.000	0.000	0.858

<r²>	33.123
(<r²>)^1/2	5.755