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	hartrees
Energy at 0K	-212.127258
Energy at 298.15K	-212.127049
HF Energy	-212.127258
Nuclear repulsion energy	61.242923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2135	1938	377.34
2	A'	1182	1073	244.97
3	A'	709	644	20.54

Atom	x (Å)	y (Å)
F1	-1.000	-0.429
C2	0.000	0.410
O3	1.125	0.175

	F1	C2	O3
F1		1.3053	2.2091
C2	1.3053		1.1491
O3	2.2091	1.1491

Number	Element	Mulliken
1	F	-0.199
2	C	0.401
3	O	-0.202

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

using model chemistry: HF/cc-pVDZ

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
	-0.981	0.553	0.000	1.126
CHELPG
AIM
ESP

	x	y	z
x	2.326	0.033	0.000
y	0.033	1.412	0.000
z	0.000	0.000	1.169

<r²>	31.853
(<r²>)^1/2	5.644