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	hartrees
Energy at 0K	-176.607292
Energy at 298.15K
HF Energy	-176.607292
Nuclear repulsion energy	55.650994

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	3480	3480	96.08	24.52	0.28	0.44
2	Σ	2304	2304	142.69	80.64	0.04	0.07
3	Σ	1081	1081	81.78	10.36	0.18	0.31
4	Π	604	604	50.41	0.90	0.75	0.86
4	Π	604	604	50.41	0.90	0.75	0.86
5	Π	405	405	1.74	7.09	0.75	0.86
5	Π	405	405	1.74	7.09	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.094
C2	0.000	0.000	-1.288
F3	0.000	0.000	1.183
H4	0.000	0.000	-2.350

	C1	C2	F3	H4
C1		1.1943	1.2764	2.2558
C2	1.1943		2.4707	1.0615
F3	1.2764	2.4707		3.5322
H4	2.2558	1.0615	3.5322

Number	Element	Mulliken
1	C	0.402
2	C	-0.249
3	F	-0.339
4	H	0.187

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: TPSSh/6-311+G(3df,2p)

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>	37.892
(<r²>)^1/2	6.156