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	hartrees
Energy at 0K	-46.354696
Energy at 298.15K	-46.355940
Nuclear repulsion energy	35.822182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3115	3036	24.29
2	A'	1745	1701	249.85
3	A'	1343	1308	1.61
4	A'	969	944	239.48
5	A'	596	580	20.94
6	A"	978	953	1.43

Atom	x (Å)	y (Å)
C1	0.000	0.427
O2	1.184	0.156
F3	-0.998	-0.579
H4	-0.486	1.408

	C1	O2	F3	H4
C1		1.2146	1.4171	1.0954
O2	1.2146		2.3027	2.0878
F3	1.4171	2.3027		2.0521
H4	1.0954	2.0878	2.0521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	121.897		O2	C1	H4	129.253
F3	C1	H4	108.850

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

using model chemistry: B3LYP/CEP-121G

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	0.099
2	O	-0.068
3	F	-0.188
4	H	0.157

	x	y	z	Total
	-1.116	2.211	0.000	2.476
CHELPG
AIM
ESP

	x	y	z
x	3.059	0.053	0.000
y	0.053	1.991	0.000
z	0.000	0.000	1.198

<r²>	0.000
(<r²>)^1/2	0.000