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	hartrees
Energy at 0K	-176.622244
Energy at 298.15K
HF Energy	-176.622244
Nuclear repulsion energy	55.668881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	Σ	3490	3490	97.68	22.94	0.23	0.37
2	Σ	2320	2320	135.70	57.09	0.10	0.17
3	Σ	1083	1083	83.56	9.02	0.20	0.33
4	Π	623	623	53.88	1.64	0.75	0.86
4	Π	623	623	53.88	1.64	0.75	0.86
5	Π	408	408	0.86	10.45	0.75	0.86
5	Π	408	408	0.86	10.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.287
F3	0.000	0.000	1.182
H4	0.000	0.000	-2.348

	C1	C2	F3	H4
C1		1.1923	1.2775	2.2526
C2	1.1923		2.4698	1.0603
F3	1.2775	2.4698		3.5301
H4	2.2526	1.0603	3.5301

Number	Element	Mulliken
1	C	0.017
2	C	-0.131
3	F	-0.135
4	H	0.248

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B3LYPultrafine/Def2TZVPP

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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<r²>	37.921
(<r²>)^1/2	6.158