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	hartrees
Energy at 0K	-176.360590
Energy at 298.15K
HF Energy	-176.360590
Nuclear repulsion energy	55.389810

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	3444	3409	92.15	27.04	0.22	0.36
2	Σ	2301	2277	102.47	29.51	0.20	0.33
3	Σ	1087	1076	63.00	9.89	0.21	0.35
4	Π	546	540	40.59	0.33	0.75	0.86
4	Π	546	540	40.59	0.33	0.75	0.86
5	Π	380	376	10.08	7.76	0.75	0.86
5	Π	380	376	10.08	7.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.090
C2	0.000	0.000	-1.296
F3	0.000	0.000	1.187
H4	0.000	0.000	-2.364

	C1	C2	F3	H4
C1		1.2060	1.2770	2.2742
C2	1.2060		2.4831	1.0682
F3	1.2770	2.4831		3.5513
H4	2.2742	1.0682	3.5513

Number	Element	Mulliken
1	C	0.283
2	C	-0.537
3	F	0.043
4	H	0.211

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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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<r²>	37.810
(<r²>)^1/2	6.149