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	hartrees
Energy at 0K	-176.400199
Energy at 298.15K
HF Energy	-176.252110
Nuclear repulsion energy	55.092553

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	3530	3357	96.11	26.76	0.22	0.36
2	Σ	2294	2182	121.94	55.28	0.07	0.14
3	Σ	1068	1016	81.35	9.13	0.22	0.36
4	Π	595	566	59.65	2.08	0.75	0.86
4	Π	595	566	59.65	2.08	0.75	0.86
5	Π	393	373	3.09	15.76	0.75	0.86
5	Π	393	373	3.09	15.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.096
C2	0.000	0.000	-1.302
F3	0.000	0.000	1.195
H4	0.000	0.000	-2.364

	C1	C2	F3	H4
C1		1.2059	1.2915	2.2681
C2	1.2059		2.4974	1.0621
F3	1.2915	2.4974		3.5596
H4	2.2681	1.0621	3.5596

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULL/6-31+G**

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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