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	hartrees
Energy at 0K	-213.698512
Energy at 298.15K	-213.699852
HF Energy	-213.698512
Nuclear repulsion energy	67.888680

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3010	33.39
2	A'	1964	1871	267.24
3	A'	1414	1346	2.96
4	A'	1177	1121	220.51
5	A'	693	660	21.40
6	A"	1068	1017	0.47

Atom	x (Å)	y (Å)
C1	0.000	0.395
O2	1.141	0.117
F3	-0.964	-0.522
H4	-0.449	1.394

	C1	O2	F3	H4
C1		1.1745	1.3311	1.0949
O2	1.1745		2.2003	2.0396
F3	1.3311	2.2003		1.9840
H4	1.0949	2.0396	1.9840

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.710		O2	C1	H4	127.945
F3	C1	H4	109.345

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

using model chemistry: M06-2X/6-31G(2df,p)

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	0.216
2	O	-0.247
3	F	-0.103
4	H	0.134

	x	y	z	Total
	-1.368	1.476	0.000	2.012
CHELPG
AIM
ESP

	x	y	z
x	2.740	-0.081	0.000
y	-0.081	2.153	0.000
z	0.000	0.000	1.483

<r²>	34.295
(<r²>)^1/2	5.856