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	hartrees
Energy at 0K	-46.316821
Energy at 298.15K	-46.318083
Nuclear repulsion energy	36.051893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3135	3135	25.22
2	A'	1786	1786	264.78
3	A'	1354	1354	1.30
4	A'	999	999	247.17
5	A'	610	610	22.66
6	A"	991	991	0.77

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.178	0.147
F3	-0.994	-0.569
H4	-0.477	1.408

	C1	O2	F3	H4
C1		1.2093	1.4037	1.0948
O2	1.2093		2.2864	2.0801
F3	1.4037	2.2864		2.0430
H4	1.0948	2.0801	2.0430

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	121.925		O2	C1	H4	128.988
F3	C1	H4	109.086

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

using model chemistry: B1B95/CEP-121G

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	0.118
2	O	-0.091
3	F	-0.194
4	H	0.166

	x	y	z	Total
	-1.120	2.178	0.000	2.449
CHELPG
AIM
ESP

	x	y	z
x	2.989	0.041	0.000
y	0.041	1.928	0.000
z	0.000	0.000	1.172

<r²>	0.000
(<r²>)^1/2	0.000