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	hartrees
Energy at 0K	-213.859649
Energy at 298.15K	-213.860954
HF Energy	-213.859649
Nuclear repulsion energy	67.276190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3086	2985	22.93
2	A'	1882	1820	291.32
3	A'	1362	1317	0.66
4	A'	1056	1021	267.65
5	A'	662	640	19.57
6	A"	1030	996	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.393
O2	1.146	0.124
F3	-0.970	-0.527
H4	-0.444	1.395

	C1	O2	F3	H4
C1		1.1776	1.3370	1.0955
O2	1.1776		2.2139	2.0359
F3	1.3370	2.2139		1.9925
H4	1.0955	2.0359	1.9925

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.263		O2	C1	H4	127.139
F3	C1	H4	109.598

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

using model chemistry: B3LYPultrafine/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
	-1.287	1.672	0.000	2.110
CHELPG
AIM
ESP

	x	y	z
x	3.435	0.014	0.000
y	0.014	2.716	0.000
z	0.000	0.000	2.007

<r²>	35.179
(<r²>)^1/2	5.931