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	hartrees
Energy at 0K	-176.461303
Energy at 298.15K
HF Energy	-176.291156
Nuclear repulsion energy	55.517023

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	3509	3509	82.36	23.90	0.27	0.42
2	Σ	2303	2303	116.00	33.17	0.20	0.33
3	Σ	1075	1075	79.92	7.81	0.23	0.38
4	Π	587	587	50.25	0.51	0.75	0.86
4	Π	587	587	50.25	0.51	0.75	0.86
5	Π	411	411	4.84	12.37	0.75	0.86
5	Π	411	411	4.84	12.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.292
F3	0.000	0.000	1.185
H4	0.000	0.000	-2.353

	C1	C2	F3	H4
C1		1.1986	1.2788	2.2599
C2	1.1986		2.4774	1.0612
F3	1.2788	2.4774		3.5386
H4	2.2599	1.0612	3.5386

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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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