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	hartrees
Energy at 0K	-213.777395
Energy at 298.15K	-213.778728
HF Energy	-213.777395
Nuclear repulsion energy	67.735936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3024	26.63
2	A'	1948	1860	299.19
3	A'	1396	1334	2.24
4	A'	1134	1083	260.64
5	A'	688	657	22.40
6	A"	1053	1005	0.16

Atom	x (Å)	y (Å)
C1	0.000	0.399
O2	1.140	0.123
F3	-0.963	-0.530
H4	-0.452	1.392

	C1	O2	F3	H4
C1		1.1728	1.3382	1.0915
O2	1.1728		2.2020	2.0363
F3	1.3382	2.2020		1.9892
H4	1.0915	2.0363	1.9892

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.414		O2	C1	H4	128.094
F3	C1	H4	109.493

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

using model chemistry: M06-2X/cc-pVTZ

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	0.337
2	O	-0.247
3	F	-0.161
4	H	0.071

	x	y	z	Total
	-1.334	1.688	0.000	2.151
CHELPG
AIM
ESP

	x	y	z
x	2.910	-0.047	0.000
y	-0.047	2.183	0.000
z	0.000	0.000	1.517

<r²>	34.642
(<r²>)^1/2	5.886