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	hartrees
Energy at 0K	-176.517590
Energy at 298.15K
HF Energy	-176.322042
Nuclear repulsion energy	55.595942

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	3510	3510	94.81	24.87	0.21	0.35
2	Σ	2291	2291	130.75	50.19	0.10	0.17
3	Σ	1079	1079	78.56	9.04	0.20	0.33
4	Π	619	619	51.70	1.36	0.75	0.86
4	Π	619	619	51.70	1.36	0.75	0.86
5	Π	396	396	1.28	10.01	0.75	0.86
5	Π	396	396	1.28	10.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.290
F3	0.000	0.000	1.184
H4	0.000	0.000	-2.349

	C1	C2	F3	H4
C1		1.1965	1.2776	2.2547
C2	1.1965		2.4740	1.0583
F3	1.2776	2.4740		3.5323
H4	2.2547	1.0583	3.5323

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULLultrafine/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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