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	hartrees
Energy at 0K	-212.970880
Energy at 298.15K	-212.970579
HF Energy	-212.970880
Nuclear repulsion energy	58.538093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1856	1757	199.27
2	A'	987	934	151.06
3	A'	592	560	13.05

Atom	x (Å)	y (Å)
F1	-1.038	-0.477
C2	0.000	0.436
O3	1.167	0.210

	F1	C2	O3
F1		1.3818	2.3095
C2	1.3818		1.1891
O3	2.3095	1.1891

Number	Element	Mulliken
1	F	-0.251
2	C	0.535
3	O	-0.284

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

using model chemistry: mPW1PW91/6-31G

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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	x	y	z	Total
	-0.609	0.339	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	2.684	0.161	0.000
y	0.161	1.447	0.000
z	0.000	0.000	1.073

<r²>	34.143
(<r²>)^1/2	5.843