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	hartrees
Energy at 0K	-213.548273
Energy at 298.15K	-213.549553
Nuclear repulsion energy	66.492957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3025	2982	45.85
2	A'	1860	1833	222.03
3	A'	1352	1333	1.89
4	A'	1073	1057	205.80
5	A'	641	632	16.27
6	A"	995	981	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.399
O2	1.165	0.129
F3	-0.984	-0.537
H4	-0.461	1.405

	C1	O2	F3	H4
C1		1.1958	1.3584	1.1070
O2	1.1958		2.2504	2.0669
F3	1.3584	2.2504		2.0118
H4	1.1070	2.0669	2.0118

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.418		O2	C1	H4	127.629
F3	C1	H4	108.953

All results from a given calculation for HFCO (formyl fluoride)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	0.345
2	O	-0.301
3	F	-0.194
4	H	0.150

	x	y	z	Total
	-1.302	1.334	0.000	1.864
CHELPG
AIM
ESP

	x	y	z
x	2.804	-0.035	0.000
y	-0.035	2.033	0.000
z	0.000	0.000	1.221

<r²>	0.000
(<r²>)^1/2	0.000