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	hartrees
Energy at 0K	-213.564025
Energy at 298.15K	-213.565345
Nuclear repulsion energy	67.379516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	2986	42.26
2	A'	1950	1854	262.23
3	A'	1410	1341	3.22
4	A'	1145	1089	228.68
5	A'	676	642	20.36
6	A"	1052	1001	0.40

Atom	x (Å)	y (Å)
C1	0.000	0.394
O2	1.150	0.119
F3	-0.973	-0.524
H4	-0.445	1.396

	C1	O2	F3	H4
C1		1.1826	1.3371	1.0972
O2	1.1826		2.2186	2.0437
F3	1.3371	2.2186		1.9912
H4	1.0972	2.0437	1.9912

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.287		O2	C1	H4	127.344
F3	C1	H4	109.369

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

using model chemistry: HSEh1PBE/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	-0.337
3	F	-0.229
4	H	0.165

	x	y	z	Total
	-1.386	1.469	0.000	2.019
CHELPG
AIM
ESP

	x	y	z
x	2.679	-0.070	0.000
y	-0.070	1.925	0.000
z	0.000	0.000	1.195

<r²>	34.707
(<r²>)^1/2	5.891