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	hartrees
Energy at 0K	-176.421917
Energy at 298.15K
HF Energy	-176.265261
Nuclear repulsion energy	55.064174

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	3499	3499	99.15	26.23	0.25	0.40
2	Σ	2279	2279	125.63	83.09	0.03	0.05
3	Σ	1054	1054	77.44	10.09	0.18	0.30
4	Π	548	548	44.31	0.22	0.75	0.86
4	Π	548	548	44.31	0.22	0.75	0.86
5	Π	356	356	3.40	7.10	0.75	0.86
5	Π	356	356	3.40	7.10	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.093
C2	0.000	0.000	-1.304
F3	0.000	0.000	1.195
H4	0.000	0.000	-2.371

	C1	C2	F3	H4
C1		1.2105	1.2880	2.2780
C2	1.2105		2.4985	1.0675
F3	1.2880	2.4985		3.5660
H4	2.2780	1.0675	3.5660

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULLultrafine/daug-cc-pVDZ

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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