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	hartrees
Energy at 0K	-213.750330
Energy at 298.15K	-213.751614
Nuclear repulsion energy	66.647324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2984	2968	39.39
2	A'	1828	1818	210.20
3	A'	1351	1343	0.92
4	A'	1051	1045	194.74
5	A'	642	638	15.10
6	A"	1002	997	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.399
O2	1.162	0.130
F3	-0.981	-0.538
H4	-0.465	1.402

	C1	O2	F3	H4
C1		1.1923	1.3564	1.1053
O2	1.1923		2.2440	2.0648
F3	1.3564	2.2440		2.0069
H4	1.1053	2.0648	2.0069

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	123.268		O2	C1	H4	127.934
F3	C1	H4	108.798

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

using model chemistry: BLYP/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	0.099
2	O	-0.172
3	F	-0.031
4	H	0.104

	x	y	z	Total
	-1.257	1.315	0.000	1.819
CHELPG
AIM
ESP

	x	y	z
x	2.916	-0.028	0.000
y	-0.028	2.287	0.000
z	0.000	0.000	1.505

<r²>	0.000
(<r²>)^1/2	0.000