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	hartrees
Energy at 0K	-173.924042
Energy at 298.15K
HF Energy	-173.863284
Nuclear repulsion energy	54.197331

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	3735	3735	149.76	23.52	0.29	0.45
2	Σ	2451	2451	14.65	12.89	0.28	0.44
3	Σ	1092	1092	14.23	4.74	0.26	0.41
4	Π	666	666	18.85	0.22	0.75	0.86
4	Π	666	666	18.85	0.22	0.75	0.86
5	Π	368	368	2.26	3.35	0.75	0.86
5	Π	368	368	2.26	3.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.110
C2	0.000	0.000	-1.318
F3	0.000	0.000	1.219
H4	0.000	0.000	-2.394

	C1	C2	F3	H4
C1		1.2079	1.3290	2.2834
C2	1.2079		2.5370	1.0754
F3	1.3290	2.5370		3.6124
H4	2.2834	1.0754	3.6124

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: B2PLYP=FULL/STO-3G

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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