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	hartrees
Energy at 0K	-213.039235
Energy at 298.15K	-213.038990
HF Energy	-213.039235
Nuclear repulsion energy	60.356622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2001	2001	255.13
2	A'	1109	1109	194.62
3	A'	653	653	10.68

Atom	x (Å)	y (Å)
F1	-1.013	-0.432
C2	0.000	0.423
O3	1.139	0.169

	F1	C2	O3
F1		1.3260	2.2346
C2	1.3260		1.1676
O3	2.2346	1.1676

Number	Element	Mulliken
1	F	-0.125
2	C	0.233
3	O	-0.108

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

using model chemistry: M06-2X/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
	-0.715	0.257	0.000	0.759
CHELPG
AIM
ESP

	x	y	z
x	2.529	0.016	0.000
y	0.016	1.570	0.000
z	0.000	0.000	1.250

<r²>	32.318
(<r²>)^1/2	5.685