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	hartrees
Energy at 0K	-212.984547
Energy at 298.15K	-212.984298
HF Energy	-212.984547
Nuclear repulsion energy	60.514734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1956	1880	248.47
2	A'	1090	1047	187.84
3	A'	648	623	9.90

Atom	x (Å)	y (Å)
F1	-1.012	-0.430
C2	0.000	0.417
O3	1.139	0.171

	F1	C2	O3
F1		1.3200	2.2332
C2	1.3200		1.1649
O3	2.2332	1.1649

Number	Element	Mulliken
1	F	-0.095
2	C	0.217
3	O	-0.122

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

using model chemistry: HSEh1PBE/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	2.866	0.053	0.000
y	0.053	1.918	0.000
z	0.000	0.000	1.596

<r²>	32.363
(<r²>)^1/2	5.689