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	hartrees
Energy at 0K	-213.859656
Energy at 298.15K	-213.860961
Nuclear repulsion energy	67.281907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	2985	22.96
2	A'	1882	1821	291.33
3	A'	1362	1317	0.66
4	A'	1056	1022	267.58
5	A'	662	640	19.57
6	A"	1030	996	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.400
O2	1.146	0.135
F3	-0.967	-0.541
H4	-0.464	1.390

	C1	O2	F3	H4
C1		1.1767	1.3501	1.0935
O2	1.1767		2.2194	2.0419
F3	1.3501	2.2194		1.9963
H4	1.0935	2.0419	1.9963

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.746		O2	C1	H4	128.138
F3	C1	H4	109.116

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

using model chemistry: B3LYP/aug-cc-pVTZ

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	0.188
2	O	-0.348
3	F	-0.271
4	H	0.431

	x	y	z	Total
	-1.288	1.672	0.000	2.110
CHELPG
AIM
ESP

	x	y	z
x	3.434	0.014	0.000
y	0.014	2.716	0.000
z	0.000	0.000	2.008

<r²>	0.000
(<r²>)^1/2	0.000