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	hartrees
Energy at 0K	-213.014195
Energy at 298.15K	-213.013948
HF Energy	-213.014195
Nuclear repulsion energy	60.301129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2003	1897	242.79
2	A'	1134	1074	182.32
3	A'	651	616	10.74

Atom	x (Å)	y (Å)
F1	-1.015	-0.428
C2	0.000	0.422
O3	1.142	0.165

	F1	C2	O3
F1		1.3243	2.2374
C2	1.3243		1.1708
O3	2.2374	1.1708

Number	Element	Mulliken
1	F	-0.207
2	C	0.503
3	O	-0.295

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

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
	-0.872	0.252	0.000	0.908
CHELPG
AIM
ESP

	x	y	z
x	2.603	-0.008	0.000
y	-0.008	1.598	0.000
z	0.000	0.000	1.282

<r²>	32.315
(<r²>)^1/2	5.685