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	hartrees
Energy at 0K	-46.415627
Energy at 298.15K	-46.416916
Nuclear repulsion energy	36.667180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3118	3011	42.12
2	A'	1890	1825	302.19
3	A'	1364	1317	1.35
4	A'	1081	1044	257.72
5	A'	650	628	19.18
6	A"	1010	976	0.49

Atom	x (Å)	y (Å)
C1	0.000	0.404
O2	1.165	0.123
F3	-0.984	-0.535
H4	-0.457	1.411

	C1	O2	F3	H4
C1		1.1980	1.3601	1.1064
O2	1.1980		2.2475	2.0711
F3	1.3601	2.2475		2.0164
H4	1.1064	2.0711	2.0164

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.811		O2	C1	H4	127.946
F3	C1	H4	109.243

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

using model chemistry: B3LYP/CEP-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	-0.057
2	O	-0.041
3	F	-0.110
4	H	0.208

	x	y	z	Total
	-1.351	1.785	0.000	2.239
CHELPG
AIM
ESP

	x	y	z
x	2.816	-0.001	0.000
y	-0.001	1.955	0.000
z	0.000	0.000	1.360

<r²>	0.000
(<r²>)^1/2	0.000