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	hartrees
Energy at 0K	-213.744092
Energy at 298.15K	-213.745370
HF Energy	-213.744092
Nuclear repulsion energy	66.723850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3024	2981	37.81
2	A'	1842	1815	266.75
3	A'	1344	1324	0.55
4	A'	1009	994	263.19
5	A'	641	632	19.19
6	A"	997	983	0.03

Atom	x (Å)	y (Å)
C1	0.000	0.403
O2	1.155	0.146
F3	-0.974	-0.553
H4	-0.476	1.394

	C1	O2	F3	H4
C1		1.1835	1.3645	1.0999
O2	1.1835		2.2409	2.0544
F3	1.3645	2.2409		2.0098
H4	1.0999	2.0544	2.0098

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.996		O2	C1	H4	128.195
F3	C1	H4	108.809

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

using model chemistry: B97D3/TZVP

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	0.266
2	O	-0.210
3	F	-0.148
4	H	0.092

	x	y	z	Total
	-1.205	1.658	0.000	2.049
CHELPG
AIM
ESP

	x	y	z
x	3.183	0.019	0.000
y	0.019	2.253	0.000
z	0.000	0.000	1.446

<r²>	35.524
(<r²>)^1/2	5.960