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	hartrees
Energy at 0K	-213.723897
Energy at 298.15K	-213.725206
Nuclear repulsion energy	67.254124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3003	23.81
2	A'	1928	1835	311.09
3	A'	1380	1313	1.37
4	A'	1099	1046	278.74
5	A'	665	632	20.78
6	A"	1038	988	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.399
O2	1.149	0.124
F3	-0.971	-0.532
H4	-0.454	1.395

	C1	O2	F3	H4
C1		1.1817	1.3455	1.0946
O2	1.1817		2.2197	2.0458
F3	1.3455	2.2197		1.9956
H4	1.0946	2.0458	1.9956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.744		O2	C1	H4	127.948
F3	C1	H4	109.307

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

using model chemistry: mPW1PW91/6-31+G**

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	0.412
2	O	-0.341
3	F	-0.236
4	H	0.165

	x	y	z	Total
	-1.335	1.778	0.000	2.223
CHELPG
AIM
ESP

	x	y	z
x	3.230	-0.018	0.000
y	-0.018	2.313	0.000
z	0.000	0.000	1.547

<r²>	0.000
(<r²>)^1/2	0.000