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	hartrees
Energy at 0K	-212.056271
Energy at 298.15K	-212.056009
HF Energy	-212.056271
Nuclear repulsion energy	60.130973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1909	1888	199.57
2	A'	1093	1081	156.50
3	A'	626	619	7.62

Atom	x (Å)	y (Å)
F1	-1.020	-0.420
C2	0.000	0.425
O3	1.147	0.153

	F1	C2	O3
F1		1.3240	2.2413
C2	1.3240		1.1788
O3	2.2413	1.1788

Number	Element	Mulliken
1	F	-0.048
2	C	0.100
3	O	-0.051

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

using model chemistry: LSDA/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
	-0.710	-0.023	0.000	0.711
CHELPG
AIM
ESP

	x	y	z
x	2.626	0.080	0.000
y	0.080	1.553	0.000
z	0.000	0.000	1.294

<r²>	32.405
(<r²>)^1/2	5.693