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	hartrees
Energy at 0K	-213.762871
Energy at 298.15K	-213.764181
Nuclear repulsion energy	67.084514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3114	2984	41.77
2	A'	1916	1835	249.27
3	A'	1406	1347	2.96
4	A'	1115	1069	224.45
5	A'	666	638	19.27
6	A"	1042	998	0.36

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	1.154	0.124
F3	-0.976	-0.530
H4	-0.450	1.397

	C1	O2	F3	H4
C1		1.1861	1.3459	1.0975
O2	1.1861		2.2290	2.0480
F3	1.3459	2.2290		1.9982
H4	1.0975	2.0480	1.9982

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.245		O2	C1	H4	127.449
F3	C1	H4	109.306

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

using model chemistry: B3LYPultrafine/6-31G*

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	0.410
2	O	-0.330
3	F	-0.226
4	H	0.147

	x	y	z	Total
	-1.352	1.462	0.000	1.992
CHELPG
AIM
ESP

	x	y	z
x	2.696	-0.061	0.000
y	-0.061	1.940	0.000
z	0.000	0.000	1.191

<r²>	0.000
(<r²>)^1/2	0.000