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	hartrees
Energy at 0K	-212.529863
Energy at 298.15K	-212.531185
HF Energy	-212.529863
Nuclear repulsion energy	66.346165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	2995	38.63
2	A'	1876	1778	186.67
3	A'	1451	1375	2.58
4	A'	1126	1067	173.85
5	A'	668	633	20.41
6	A"	1073	1017	0.11

Atom	x (Å)	y (Å)
C1	0.000	0.403
O2	1.166	0.134
F3	-0.986	-0.542
H4	-0.451	1.396

	C1	O2	F3	H4
C1		1.1967	1.3661	1.0907
O2	1.1967		2.2560	2.0515
F3	1.3661	2.2560		2.0106
H4	1.0907	2.0515	2.0106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.221		O2	C1	H4	127.439
F3	C1	H4	109.340

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

using model chemistry: wB97X-D/3-21G*

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	0.464
2	O	-0.415
3	F	-0.275
4	H	0.226

	x	y	z	Total
	-1.256	1.713	0.000	2.124
CHELPG
AIM
ESP

	x	y	z
x	2.388	-0.037	0.000
y	-0.037	1.571	0.000
z	0.000	0.000	0.803

<r²>	35.569
(<r²>)^1/2	5.964