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	hartrees
Energy at 0K	-176.415854
Energy at 298.15K
HF Energy	-176.415854
Nuclear repulsion energy	55.902153

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	3496	3496	103.74	21.76	0.27	0.43
2	Σ	2343	2343	147.38	81.51	0.04	0.07
3	Σ	1111	1111	83.89	9.91	0.17	0.30
4	Π	624	624	52.31	1.33	0.75	0.86
4	Π	624	624	52.31	1.33	0.75	0.86
5	Π	439	439	0.49	6.45	0.75	0.86
5	Π	439	439	0.49	6.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.091
C2	0.000	0.000	-1.283
F3	0.000	0.000	1.176
H4	0.000	0.000	-2.345

	C1	C2	F3	H4
C1		1.1914	1.2677	2.2536
C2	1.1914		2.4591	1.0622
F3	1.2677	2.4591		3.5213
H4	2.2536	1.0622	3.5213

Number	Element	Mulliken
1	C	0.353
2	C	-0.238
3	F	-0.326
4	H	0.211

All results from a given calculation for HCCF (Fluoroacetylene)

using model chemistry: PBE1PBE/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>	37.659
(<r²>)^1/2	6.137