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	hartrees
Energy at 0K	-213.549661
Energy at 298.15K	-213.550944
Nuclear repulsion energy	66.491125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3015	2974	42.20
2	A'	1858	1832	219.52
3	A'	1345	1326	1.64
4	A'	1072	1058	206.35
5	A'	641	632	16.25
6	A"	996	983	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.400
O2	1.165	0.129
F3	-0.984	-0.537
H4	-0.461	1.406

	C1	O2	F3	H4
C1		1.1959	1.3587	1.1068
O2	1.1959		2.2496	2.0675
F3	1.3587	2.2496		2.0123
H4	1.1068	2.0675	2.0123

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.306		O2	C1	H4	127.716
F3	C1	H4	108.977

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	0.394
2	O	-0.310
3	F	-0.199
4	H	0.115

	x	y	z	Total
	-1.299	1.338	0.000	1.865
CHELPG
AIM
ESP

	x	y	z
x	2.814	-0.037	0.000
y	-0.037	2.045	0.000
z	0.000	0.000	1.232

<r²>	0.000
(<r²>)^1/2	0.000