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	hartrees
Energy at 0K	-213.745307
Energy at 298.15K
HF Energy	-213.519436
Nuclear repulsion energy	67.292219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3002	20.01
2	A'	1864	1788	274.98
3	A'	1371	1315	0.32
4	A'	1063	1020	268.12
5	A'	662	635	19.76
6	A"	1037	994	0.04

Atom	x (Å)	y (Å)
C1	0.000	0.400
O2	1.148	0.130
F3	-0.969	-0.537
H4	-0.459	1.388

	C1	O2	F3	H4
C1		1.1791	1.3477	1.0892
O2	1.1791		2.2197	2.0402
F3	1.3477	2.2197		1.9908
H4	1.0892	2.0402	1.9908

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.779		O2	C1	H4	128.125
F3	C1	H4	109.096

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

using model chemistry: B2PLYP=FULLultrafine/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	0.112
2	O	-0.343
3	F	-0.254
4	H	0.486

	x	y	z	Total
	-1.265	1.687	0.000	2.109
CHELPG
AIM
ESP

	x	y	z
x	3.430	0.017	-0.000
y	0.017	2.686	0.000
z	-0.000	0.000	1.994

<r²>	35.167
(<r²>)^1/2	5.930