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	hartrees
Energy at 0K	-210.880438
Energy at 298.15K	-210.880160
HF Energy	-210.880438
Nuclear repulsion energy	58.871519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1826	1793	130.56
2	A'	1065	1046	95.52
3	A'	609	598	8.59

Atom	x (Å)	y (Å)
F1	-1.040	-0.446
C2	0.000	0.427
O3	1.170	0.181

	F1	C2	O3
F1		1.3578	2.2977
C2	1.3578		1.1956
O3	2.2977	1.1956

Number	Element	Mulliken
1	F	-0.175
2	C	0.498
3	O	-0.322

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

using model chemistry: LSDA/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
	-0.672	-0.142	0.000	0.687
CHELPG
AIM
ESP

	x	y	z
x	2.404	0.164	0.000
y	0.164	1.229	0.000
z	0.000	0.000	0.981

<r²>	33.586
(<r²>)^1/2	5.795