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	hartrees
Energy at 0K	-212.979367
Energy at 298.15K	-212.979079
HF Energy	-212.979367
Nuclear repulsion energy	59.649839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1849	1829	225.60
2	A'	997	986	176.84
3	A'	604	597	8.18

Atom	x (Å)	y (Å)
F1	-1.024	-0.444
C2	0.000	0.425
O3	1.153	0.181

	F1	C2	O3
F1		1.3436	2.2651
C2	1.3436		1.1780
O3	2.2651	1.1780

Number	Element	Mulliken
1	F	-0.146
2	C	0.319
3	O	-0.174

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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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	x	y	z	Total
	-0.657	0.126	0.000	0.669
CHELPG
AIM
ESP

	x	y	z
x	3.522	0.090	0.000
y	0.090	2.608	0.000
z	0.000	0.000	2.155

<r²>	33.261
(<r²>)^1/2	5.767