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	hartrees
Energy at 0K	-213.770096
Energy at 298.15K	-213.771413
Nuclear repulsion energy	67.494751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3084	2966	32.05
2	A'	1907	1833	274.02
3	A'	1368	1316	1.13
4	A'	1094	1052	250.81
5	A'	672	646	19.54
6	A"	1038	998	0.01

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	1.145	0.127
F3	-0.967	-0.532
H4	-0.456	1.393

	C1	O2	F3	H4
C1		1.1761	1.3407	1.0957
O2	1.1761		2.2127	2.0406
F3	1.3407	2.2127		1.9914
H4	1.0957	2.0406	1.9914

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.949		O2	C1	H4	127.818
F3	C1	H4	109.234

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

using model chemistry: B3PW91/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	0.320
2	O	-0.214
3	F	-0.150
4	H	0.045

	x	y	z	Total
	-1.316	1.574	0.000	2.052
CHELPG
AIM
ESP

	x	y	z
x	2.982	-0.028	0.000
y	-0.028	2.250	0.000
z	0.000	0.000	1.536

<r²>	0.000
(<r²>)^1/2	0.000