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	hartrees
Energy at 0K	-213.778706
Energy at 298.15K	-213.780014
Nuclear repulsion energy	67.040960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3074	2982	37.96
2	A'	1904	1847	261.97
3	A'	1358	1317	2.94
4	A'	1085	1052	237.46
5	A'	662	642	19.62
6	A"	1029	998	0.18

Atom	x (Å)	y (Å)
C1	0.000	0.400
O2	1.152	0.129
F3	-0.972	-0.537
H4	-0.465	1.404

	C1	O2	F3	H4
C1		1.1832	1.3504	1.1067
O2	1.1832		2.2264	2.0590
F3	1.3504	2.2264		2.0065
H4	1.1067	2.0590	2.0065

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.849		O2	C1	H4	128.062
F3	C1	H4	109.089

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

using model chemistry: B3LYP/cc-pVDZ

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	0.289
2	O	-0.159
3	F	-0.161
4	H	0.031

	x	y	z	Total
	-1.201	1.511	0.000	1.930
CHELPG
AIM
ESP

	x	y	z
x	2.654	-0.059	0.000
y	-0.059	1.945	0.000
z	0.000	0.000	1.170

<r²>	0.000
(<r²>)^1/2	0.000