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	hartrees
Energy at 0K	-212.532398
Energy at 298.15K	-212.533720
Nuclear repulsion energy	66.339859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	2988	41.47
2	A'	1865	1771	183.63
3	A'	1443	1370	2.46
4	A'	1130	1073	167.85
5	A'	666	632	19.89
6	A"	1079	1024	0.11

Atom	x (Å)	y (Å)
C1	0.000	0.407
O2	1.166	0.129
F3	-0.986	-0.541
H4	-0.452	1.397

	C1	O2	F3	H4
C1		1.1986	1.3673	1.0890
O2	1.1986		2.2537	2.0561
F3	1.3673	2.2537		2.0102
H4	1.0890	2.0561	2.0102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.745		O2	C1	H4	127.935
F3	C1	H4	109.320

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

using model chemistry: mPW1PW91/3-21G*

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	0.462
2	O	-0.415
3	F	-0.271
4	H	0.225

	x	y	z	Total
	-1.245	1.665	0.000	2.079
CHELPG
AIM
ESP

	x	y	z
x	2.398	-0.033	0.000
y	-0.033	1.582	0.000
z	0.000	0.000	0.809

<r²>	0.000
(<r²>)^1/2	0.000