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	hartrees
Energy at 0K	-44.895127
Energy at 298.15K	-44.894851
HF Energy	-44.895127
Nuclear repulsion energy	31.241424

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1855	1672	196.77
2	A'	1010	910	234.86
3	A'	631	569	30.54

Atom	x (Å)	y (Å)
F1	-1.032	-0.468
C2	0.000	0.434
O3	1.161	0.201

	F1	C2	O3
F1		1.3701	2.2918
C2	1.3701		1.1837
O3	2.2918	1.1837

Number	Element	Mulliken
1	F	-0.211
2	C	0.311
3	O	-0.100

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
	-0.808	0.932	0.000	1.234
CHELPG
AIM
ESP

	x	y	z
x	2.812	0.202	0.000
y	0.202	1.538	0.000
z	0.000	0.000	1.127

<r²>	28.517
(<r²>)^1/2	5.340