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	hartrees
Energy at 0K	-213.734854
Energy at 298.15K	-213.736125
HF Energy	-213.734854
Nuclear repulsion energy	66.236765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3012	2987	46.34
2	A'	1833	1818	216.13
3	A'	1358	1347	1.99
4	A'	1045	1036	205.58
5	A'	633	628	15.85
6	A"	994	986	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.398
O2	1.169	0.137
F3	-0.987	-0.543
H4	-0.467	1.402

	C1	O2	F3	H4
C1		1.1973	1.3633	1.1074
O2	1.1973		2.2600	2.0676
F3	1.3633	2.2600		2.0133
H4	1.1074	2.0676	2.0133

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.783		O2	C1	H4	127.515
F3	C1	H4	108.702

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

using model chemistry: BLYP/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	0.369
2	O	-0.301
3	F	-0.200
4	H	0.132

	x	y	z	Total
	-1.273	1.355	0.000	1.859
CHELPG
AIM
ESP

	x	y	z
x	2.809	-0.026	0.000
y	-0.026	2.037	0.000
z	0.000	0.000	1.212

<r²>	35.616
(<r²>)^1/2	5.968