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	hartrees
Energy at 0K	-44.995184
Energy at 298.15K	-44.994967
HF Energy	-44.995184
Nuclear repulsion energy	32.214301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2124	1907	417.02
2	A'	1196	1074	250.85
3	A'	699	628	22.15

Atom	x (Å)	y (Å)
F1	-1.010	-0.421
C2	0.000	0.413
O3	1.137	0.164

	F1	C2	O3
F1		1.3101	2.2250
C2	1.3101		1.1635
O3	2.2250	1.1635

Number	Element	Mulliken
1	F	-0.133
2	C	0.225
3	O	-0.093

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

using model chemistry: HF/CEP-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
	-1.088	0.534	0.000	1.212
CHELPG
AIM
ESP

	x	y	z
x	2.551	-0.012	0.000
y	-0.012	1.620	0.000
z	0.000	0.000	1.364

<r²>	26.927
(<r²>)^1/2	5.189