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	hartrees
Energy at 0K	-211.920921
Energy at 298.15K	-211.920634
HF Energy	-211.920921
Nuclear repulsion energy	58.631749

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1828	1758	137.91
2	A'	1019	980	109.14
3	A'	606	583	9.50

Atom	x (Å)	y (Å)
F1	-1.040	-0.465
C2	0.000	0.432
O3	1.169	0.199

	F1	C2	O3
F1		1.3730	2.3066
C2	1.3730		1.1925
O3	2.3066	1.1925

Number	Element	Mulliken
1	F	-0.221
2	C	0.584
3	O	-0.363

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

using model chemistry: B3LYP/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
	-0.634	0.062	0.000	0.637
CHELPG
AIM
ESP

	x	y	z
x	2.389	0.151	0.000
y	0.151	1.251	0.000
z	0.000	0.000	0.954

<r²>	33.827
(<r²>)^1/2	5.816