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	hartrees
Energy at 0K	-213.850687
Energy at 298.15K	-213.851992
HF Energy	-213.850687
Nuclear repulsion energy	67.187809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	2983	31.61
2	A'	1875	1816	263.06
3	A'	1368	1324	0.99
4	A'	1071	1037	247.20
5	A'	659	638	18.62
6	A"	1026	994	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.400
O2	1.150	0.130
F3	-0.971	-0.537
H4	-0.462	1.392

	C1	O2	F3	H4
C1		1.1812	1.3489	1.0946
O2	1.1812		2.2235	2.0471
F3	1.3489	2.2235		1.9945
H4	1.0946	2.0471	1.9945

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.867		O2	C1	H4	128.153
F3	C1	H4	108.980

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

using model chemistry: TPSSh/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	0.325
2	O	-0.216
3	F	-0.153
4	H	0.044

	x	y	z	Total
	-1.281	1.572	0.000	2.028
CHELPG
AIM
ESP

	x	y	z
x	3.029	-0.015	0.000
y	-0.015	2.284	0.000
z	0.000	0.000	1.543

<r²>	35.003
(<r²>)^1/2	5.916