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	hartrees
Energy at 0K	-176.442748
Energy at 298.15K
HF Energy	-175.716041
Nuclear repulsion energy	55.661411

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3504	3504	88.97
2	Σ	2331	2331	119.05
3	Σ	1091	1091	79.13
4	Π	624	624	44.76
4	Π	624	624	44.76
5	Π	402	402	0.70
5	Π	402	402	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.095
C2	0.000	0.000	-1.288
F3	0.000	0.000	1.183
H4	0.000	0.000	-2.348

	C1	C2	F3	H4
C1		1.1933	1.2771	2.2529
C2	1.1933		2.4704	1.0596
F3	1.2771	2.4704		3.5301
H4	2.2529	1.0596	3.5301

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: CCSD=FULL/aug-cc-pCVTZ

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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