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	hartrees
Energy at 0K	-175.393396
Energy at 298.15K
HF Energy	-175.287878
Nuclear repulsion energy	54.747617

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	3545	3545	78.20	27.35	0.18	0.31
2	Σ	2331	2331	49.75	19.00	0.29	0.45
3	Σ	1084	1084	42.59	8.13	0.27	0.43
4	Π	713	713	60.66	1.35	0.75	0.86
4	Π	713	713	60.66	1.35	0.75	0.86
5	Π	450	450	0.18	10.37	0.75	0.86
5	Π	450	450	0.18	10.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.106
C2	0.000	0.000	-1.308
F3	0.000	0.000	1.205
H4	0.000	0.000	-2.366

	C1	C2	F3	H4
C1		1.2024	1.3111	2.2604
C2	1.2024		2.5135	1.0580
F3	1.3111	2.5135		3.5715
H4	2.2604	1.0580	3.5715

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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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