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	hartrees
Energy at 0K	-213.772842
Energy at 298.15K
HF Energy	-213.772842
Nuclear repulsion energy	67.839062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3123	3123	21.05	75.14	0.21	0.35
2	A'	1947	1947	313.53	15.38	0.11	0.20
3	A'	1387	1387	1.65	3.29	0.69	0.81
4	A'	1130	1130	266.30	3.05	0.30	0.46
5	A'	685	685	22.24	2.16	0.51	0.67
6	A"	1060	1060	0.07	0.91	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.396
O2	1.139	0.120
F3	-0.963	-0.526
H4	-0.446	1.395

	C1	O2	F3	H4
C1		1.1715	1.3326	1.0937
O2	1.1715		2.1981	2.0335
F3	1.3326	2.1981		1.9885
H4	1.0937	2.0335	1.9885

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.621		O2	C1	H4	127.688
F3	C1	H4	109.691

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

using model chemistry: M06-2X/6-311+G(3df,2p)

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	0.725
2	O	-0.598
3	F	-0.314
4	H	0.187

	x	y	z	Total
	-1.344	1.716	0.000	2.180
CHELPG
AIM
ESP

	x	y	z
x	3.212	-0.030	0.000
y	-0.030	2.509	0.000
z	0.000	0.000	1.847

<r²>	34.666
(<r²>)^1/2	5.888