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	hartrees
Energy at 0K	-213.616428
Energy at 298.15K	-213.617710
Nuclear repulsion energy	65.717446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3186	3052	26.79
2	A'	1823	1746	221.16
3	A'	1392	1333	2.16
4	A'	1048	1004	206.15
5	A'	632	605	20.65
6	A"	1022	979	0.30

Atom	x (Å)	y (Å)
C1	0.000	0.415
O2	1.172	0.147
F3	-0.990	-0.562
H4	-0.469	1.399

	C1	O2	F3	H4
C1		1.2026	1.3911	1.0897
O2	1.2026		2.2756	2.0640
F3	1.3911	2.2756		2.0292
H4	1.0897	2.0640	2.0292

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.486		O2	C1	H4	128.356
F3	C1	H4	109.158

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

using model chemistry: B3PW91/6-31G

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	0.401
2	O	-0.316
3	F	-0.278
4	H	0.194

	x	y	z	Total
	-1.213	1.927	0.000	2.277
CHELPG
AIM
ESP

	x	y	z
x	2.769	0.019	0.000
y	0.019	1.758	0.000
z	0.000	0.000	0.959

<r²>	0.000
(<r²>)^1/2	0.000