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	hartrees
Energy at 0K	-213.610113
Energy at 298.15K
HF Energy	-213.443165
Nuclear repulsion energy	66.997744

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	2993	36.43	84.79	0.26	0.41
2	A'	1891	1812	248.78	9.20	0.21	0.34
3	A'	1375	1317	2.30	7.37	0.68	0.81
4	A'	1091	1046	241.08	3.04	0.37	0.55
5	A'	663	636	20.33	3.35	0.63	0.77
6	A"	1038	995	0.22	1.67	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.399
O2	1.154	0.127
F3	-0.975	-0.535
H4	-0.462	1.402

	C1	O2	F3	H4
C1		1.1857	1.3497	1.1039
O2	1.1857		2.2290	2.0582
F3	1.3497	2.2290		2.0033
H4	1.1039	2.0582	2.0033

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	F3	122.945		O2	C1	H4	127.998
F3	C1	H4	109.057

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

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	0.304
2	O	-0.165
3	F	-0.177
4	H	0.039

	x	y	z	Total
	-1.169	1.547	0.000	1.939
CHELPG
AIM
ESP

	x	y	z
x	2.668	-0.053	-0.000
y	-0.053	1.926	0.000
z	-0.000	0.000	1.160

<r²>	35.060
(<r²>)^1/2	5.921