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	hartrees
Energy at 0K	-213.800709
Energy at 298.15K	-213.802000
Nuclear repulsion energy	66.835438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3105	3013	20.58
2	A'	1873	1818	285.32
3	A'	1341	1301	0.56
4	A'	1035	1004	266.57
5	A'	647	627	19.34
6	A"	1018	988	0.05

Atom	x (Å)	y (Å)
C1	0.000	0.405
O2	1.153	0.138
F3	-0.972	-0.548
H4	-0.472	1.399

	C1	O2	F3	H4
C1		1.1830	1.3614	1.1008
O2	1.1830		2.2330	2.0564
F3	1.3614	2.2330		2.0108
H4	1.1008	2.0564	2.0108

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.554		O2	C1	H4	128.397
F3	C1	H4	109.050

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

using model chemistry: B3LYP/aug-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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Number	Element	Mulliken
1	C	0.927
2	O	-0.318
3	F	-0.346
4	H	-0.263

	x	y	z	Total
	-1.266	1.716	0.000	2.133
CHELPG
AIM
ESP

	x	y	z
x	3.436	0.023	0.000
y	0.023	2.681	0.000
z	0.000	0.000	1.928

<r²>	0.000
(<r²>)^1/2	0.000